N-tert-butylprop-2-enamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl (E)-4-(dimethylamino)but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate

C87H155N3O11 — CID 160722924

About N-tert-butylprop-2-enamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl (E)-4-(dimethylamino)but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate

N-tert-butylprop-2-enamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl (E)-4-(dimethylamino)but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate (PubChem CID 160722924) has the molecular formula C87H155N3O11 and a molecular weight of 1419.21 g/mol. Its IUPAC name is N-tert-butylprop-2-enamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl (E)-4-(dimethylamino)but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate.

Molecular Properties

• Compound Name: N-tert-butylprop-2-enamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl (E)-4-(dimethylamino)but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate
• PubChem CID: 160722924
• Molecular Formula: C87H155N3O11
• Molecular Weight: 1419.21 g/mol
• Exact Mass: 1418.17
• IUPAC Name: N-tert-butylprop-2-enamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl (E)-4-(dimethylamino)but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate
• SMILES: C/C=C/C(=O)OC(C)(C)C(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)OC(C)(C)C(C)(C)C.CC(C)(C)CCC(=O)C1=CCC1.CC(C)(C)CCC(=O)C1=CCCC1.CC(C)(C)CCC(=O)C1=CCCCC1.CN(C)C/C=C/C(=O)C(C)(C)C.CN(C)C/C=C/C(=O)OC(C)(C)C(C)(C)C
• InChI: InChI=1S/C13H25NO2.C13H22O.C12H20O.C11H20O2.C11H18O.C10H19NO.C10H18O2.C7H13NO/c1-12(2,3)13(4,5)16-11(15)9-8-10-14(6)7;1-13(2,3)10-9-12(14)11-7-5-4-6-8-11;1-12(2,3)9-8-11(13)10-6-4-5-7-10;1-7-8-9(12)13-11(5,6)10(2,3)4;1-11(2,3)8-7-10(12)9-5-4-6-9;1-10(2,3)9(12)7-6-8-11(4)5;1-7-8(11)12-10(5,6)9(2,3)4;1-5-6(9)8-7(2,3)4/h8-9H,10H2,1-7H3;7H,4-6,8-10H2,1-3H3;6H,4-5,7-9H2,1-3H3;7-8H,1-6H3;5H,4,6-8H2,1-3H3;6-7H,8H2,1-5H3;7H,1H2,2-6H3;5H,1H2,2-4H3,(H,8,9)/b9-8+;;;8-7+;;7-6+
• InChIKey: RTIIUIOETXJALJ-QELNCJEGSA-N
• XLogP: 21.23
• TPSA: 182.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1419.21
LogP ≤ 5	21.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-tert-butylprop-2-enamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl (E)-4-(dimethylamino)but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate?

The IUPAC name of N-tert-butylprop-2-enamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl (E)-4-(dimethylamino)but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate (CID 160722924) is N-tert-butylprop-2-enamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl (E)-4-(dimethylamino)but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate.

What is the SMILES notation for N-tert-butylprop-2-enamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl (E)-4-(dimethylamino)but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate?

The canonical SMILES for N-tert-butylprop-2-enamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl (E)-4-(dimethylamino)but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate is C/C=C/C(=O)OC(C)(C)C(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)OC(C)(C)C(C)(C)C.CC(C)(C)CCC(=O)C1=CCC1.CC(C)(C)CCC(=O)C1=CCCC1.CC(C)(C)CCC(=O)C1=CCCCC1.CN(C)C/C=C/C(=O)C(C)(C)C.CN(C)C/C=C/C(=O)OC(C)(C)C(C)(C)C.

What is the InChIKey of N-tert-butylprop-2-enamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl (E)-4-(dimethylamino)but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate?

The InChIKey is RTIIUIOETXJALJ-QELNCJEGSA-N. The full InChI is InChI=1S/C13H25NO2.C13H22O.C12H20O.C11H20O2.C11H18O.C10H19NO.C10H18O2.C7H13NO/c1-12(2,3)13(4,5)16-11(15)9-8-10-14(6)7;1-13(2,3)10-9-12(14)11-7-5-4-6-8-11;1-12(2,3)9-8-11(13)10-6-4-5-7-10;1-7-8-9(12)13-11(5,6)10(2,3)4;1-11(2,3)8-7-10(12)9-5-4-6-9;1-10(2,3)9(12)7-6-8-11(4)5;1-7-8(11)12-10(5,6)9(2,3)4;1-5-6(9)8-7(2,3)4/h8-9H,10H2,1-7H3;7H,4-6,8-10H2,1-3H3;6H,4-5,7-9H2,1-3H3;7-8H,1-6H3;5H,4,6-8H2,1-3H3;6-7H,8H2,1-5H3;7H,1H2,2-6H3;5H,1H2,2-4H3,(H,8,9)/b9-8+;;;8-7+;;7-6+;;.

What are the key properties of N-tert-butylprop-2-enamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl (E)-4-(dimethylamino)but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate?

N-tert-butylprop-2-enamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl (E)-4-(dimethylamino)but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate has a molecular weight of 1419.21 g/mol, XLogP of 21.23, 21 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butylprop-2-enamide;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl (E)-4-(dimethylamino)but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate is sourced from PubChem (CID 160722924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).