ethane;(Z,2E)-2-ethylidene-N-propan-2-ylhex-3-enamide

C15H31NO — CID 166462652

IUPACethane;(Z,2E)-2-ethylidene-N-propan-2-ylhex-3-enamide
SMILESC/C=C(\C=C/CC)C(=O)NC(C)C.CC.CC
InChIInChI=1S/C11H19NO.2C2H6/c1-5-7-8-10(6-2)11(13)12-9(3)4;2*1-2/h6-9H,5H2,1-4H3,(H,12,13);2*1-2H3/b8-7-,10-6+;;
InChIKeyIVIFVZSPWXJPCK-QFVBVZGUSA-N
MW241.42 g/mol
LogP4.48
Rot. Bonds4

About ethane;(Z,2E)-2-ethylidene-N-propan-2-ylhex-3-enamide

ethane;(Z,2E)-2-ethylidene-N-propan-2-ylhex-3-enamide (PubChem CID 166462652) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is ethane;(Z,2E)-2-ethylidene-N-propan-2-ylhex-3-enamide.

Molecular Properties

Compound Nameethane;(Z,2E)-2-ethylidene-N-propan-2-ylhex-3-enamide
PubChem CID166462652
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Nameethane;(Z,2E)-2-ethylidene-N-propan-2-ylhex-3-enamide
SMILESC/C=C(\C=C/CC)C(=O)NC(C)C.CC.CC
InChIInChI=1S/C11H19NO.2C2H6/c1-5-7-8-10(6-2)11(13)12-9(3)4;2*1-2/h6-9H,5H2,1-4H3,(H,12,13);2*1-2H3/b8-7-,10-6+;;
InChIKeyIVIFVZSPWXJPCK-QFVBVZGUSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z,2E)-2-ethylidene-N-propan-2-ylhex-3-enamide?
The IUPAC name of ethane;(Z,2E)-2-ethylidene-N-propan-2-ylhex-3-enamide (CID 166462652) is ethane;(Z,2E)-2-ethylidene-N-propan-2-ylhex-3-enamide.
What is the SMILES notation for ethane;(Z,2E)-2-ethylidene-N-propan-2-ylhex-3-enamide?
The canonical SMILES for ethane;(Z,2E)-2-ethylidene-N-propan-2-ylhex-3-enamide is C/C=C(\C=C/CC)C(=O)NC(C)C.CC.CC.
What is the InChIKey of ethane;(Z,2E)-2-ethylidene-N-propan-2-ylhex-3-enamide?
The InChIKey is IVIFVZSPWXJPCK-QFVBVZGUSA-N. The full InChI is InChI=1S/C11H19NO.2C2H6/c1-5-7-8-10(6-2)11(13)12-9(3)4;2*1-2/h6-9H,5H2,1-4H3,(H,12,13);2*1-2H3/b8-7-,10-6+;;.
What are the key properties of ethane;(Z,2E)-2-ethylidene-N-propan-2-ylhex-3-enamide?
ethane;(Z,2E)-2-ethylidene-N-propan-2-ylhex-3-enamide has a molecular weight of 241.42 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,2E)-2-ethylidene-N-propan-2-ylhex-3-enamide is sourced from PubChem (CID 166462652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).