N-hepta-1,6-dien-4-yl-N-(4-methylpent-2-ynyl)prop-2-enamide

C16H23NO — CID 11390924

IUPACN-hepta-1,6-dien-4-yl-N-(4-methylpent-2-ynyl)prop-2-enamide
SMILESC=CCC(CC=C)N(CC#CC(C)C)C(=O)C=C
InChIInChI=1S/C16H23NO/c1-6-10-15(11-7-2)17(16(18)8-3)13-9-12-14(4)5/h6-8,14-15H,1-3,10-11,13H2,4-5H3
InChIKeySBPAZBXLLWLYPO-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.18
Rot. Bonds7

About N-hepta-1,6-dien-4-yl-N-(4-methylpent-2-ynyl)prop-2-enamide

N-hepta-1,6-dien-4-yl-N-(4-methylpent-2-ynyl)prop-2-enamide (PubChem CID 11390924) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-hepta-1,6-dien-4-yl-N-(4-methylpent-2-ynyl)prop-2-enamide.

Molecular Properties

Compound NameN-hepta-1,6-dien-4-yl-N-(4-methylpent-2-ynyl)prop-2-enamide
PubChem CID11390924
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-hepta-1,6-dien-4-yl-N-(4-methylpent-2-ynyl)prop-2-enamide
SMILESC=CCC(CC=C)N(CC#CC(C)C)C(=O)C=C
InChIInChI=1S/C16H23NO/c1-6-10-15(11-7-2)17(16(18)8-3)13-9-12-14(4)5/h6-8,14-15H,1-3,10-11,13H2,4-5H3
InChIKeySBPAZBXLLWLYPO-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hepta-1,6-dien-4-yl-N-(4-methylpent-2-ynyl)prop-2-enamide?
The IUPAC name of N-hepta-1,6-dien-4-yl-N-(4-methylpent-2-ynyl)prop-2-enamide (CID 11390924) is N-hepta-1,6-dien-4-yl-N-(4-methylpent-2-ynyl)prop-2-enamide.
What is the SMILES notation for N-hepta-1,6-dien-4-yl-N-(4-methylpent-2-ynyl)prop-2-enamide?
The canonical SMILES for N-hepta-1,6-dien-4-yl-N-(4-methylpent-2-ynyl)prop-2-enamide is C=CCC(CC=C)N(CC#CC(C)C)C(=O)C=C.
What is the InChIKey of N-hepta-1,6-dien-4-yl-N-(4-methylpent-2-ynyl)prop-2-enamide?
The InChIKey is SBPAZBXLLWLYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-6-10-15(11-7-2)17(16(18)8-3)13-9-12-14(4)5/h6-8,14-15H,1-3,10-11,13H2,4-5H3.
What are the key properties of N-hepta-1,6-dien-4-yl-N-(4-methylpent-2-ynyl)prop-2-enamide?
N-hepta-1,6-dien-4-yl-N-(4-methylpent-2-ynyl)prop-2-enamide has a molecular weight of 245.37 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hepta-1,6-dien-4-yl-N-(4-methylpent-2-ynyl)prop-2-enamide is sourced from PubChem (CID 11390924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).