N-propylidenehept-6-enamide

C10H17NO — CID 87366045

IUPACN-propylidenehept-6-enamide
SMILESC=CCCCCC(=O)/N=C/CC
InChIInChI=1S/C10H17NO/c1-3-5-6-7-8-10(12)11-9-4-2/h3,9H,1,4-8H2,2H3/b11-9+
InChIKeyPVSZSMQMLYUKPP-PKNBQFBNSA-N
MW167.25 g/mol
LogP2.74
Rot. Bonds6

About N-propylidenehept-6-enamide

N-propylidenehept-6-enamide (PubChem CID 87366045) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-propylidenehept-6-enamide.

Molecular Properties

Compound NameN-propylidenehept-6-enamide
PubChem CID87366045
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-propylidenehept-6-enamide
SMILESC=CCCCCC(=O)/N=C/CC
InChIInChI=1S/C10H17NO/c1-3-5-6-7-8-10(12)11-9-4-2/h3,9H,1,4-8H2,2H3/b11-9+
InChIKeyPVSZSMQMLYUKPP-PKNBQFBNSA-N
XLogP2.74
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-propylidenehept-6-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tridecylidenedodecanamide
CID 87784437
pentacos-1-en-11-one
CID 21420755
hexadec-15-en-5-one
CID 91482743
tricos-1-en-11-one
CID 146680996
pentadec-14-en-7-one
CID 11528685
tricosa-1,22-dien-12-one
CID 86210796
N-(3-aminopropylidene)undecanamide
CID 87389177
ethyl hept-6-enoate
CID 560341
dec-1-ene;dec-9-enoic acid
CID 87497067
N-(2-octadec-9-enoyliminoethylidene)octadec-9-enamide
CID 141391259
nonadec-18-enoic acid
CID 543857
tritriacont-32-enoic acid
CID 54063641

Frequently Asked Questions

What is the IUPAC name of N-propylidenehept-6-enamide?
The IUPAC name of N-propylidenehept-6-enamide (CID 87366045) is N-propylidenehept-6-enamide.
What is the SMILES notation for N-propylidenehept-6-enamide?
The canonical SMILES for N-propylidenehept-6-enamide is C=CCCCCC(=O)/N=C/CC.
What is the InChIKey of N-propylidenehept-6-enamide?
The InChIKey is PVSZSMQMLYUKPP-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-5-6-7-8-10(12)11-9-4-2/h3,9H,1,4-8H2,2H3/b11-9+.
What are the key properties of N-propylidenehept-6-enamide?
N-propylidenehept-6-enamide has a molecular weight of 167.25 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylidenehept-6-enamide is sourced from PubChem (CID 87366045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).