N-(cyclohepta-1,6-dien-1-ylmethyl)formamide

C9H13NO — CID 91071396

IUPACN-(cyclohepta-1,6-dien-1-ylmethyl)formamide
SMILESO=CNCC1=CCCCC=C1
InChIInChI=1S/C9H13NO/c11-8-10-7-9-5-3-1-2-4-6-9/h3,5-6,8H,1-2,4,7H2,(H,10,11)
InChIKeyVVOQFEBRIPLRCE-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.40
Rot. Bonds3

About N-(cyclohepta-1,6-dien-1-ylmethyl)formamide

N-(cyclohepta-1,6-dien-1-ylmethyl)formamide (PubChem CID 91071396) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-(cyclohepta-1,6-dien-1-ylmethyl)formamide.

Molecular Properties

Compound NameN-(cyclohepta-1,6-dien-1-ylmethyl)formamide
PubChem CID91071396
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-(cyclohepta-1,6-dien-1-ylmethyl)formamide
SMILESO=CNCC1=CCCCC=C1
InChIInChI=1S/C9H13NO/c11-8-10-7-9-5-3-1-2-4-6-9/h3,5-6,8H,1-2,4,7H2,(H,10,11)
InChIKeyVVOQFEBRIPLRCE-UHFFFAOYSA-N
XLogP1.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(cyclohepta-1,6-dien-1-ylmethyl)formamide 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-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide
CID 88935034
N-[[(4S)-4-fluorocyclohexa-1,5-dien-1-yl]methyl]formamide
CID 117997701
N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]formamide
CID 117997713
N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide
CID 123556775
N-[(4-fluorocyclohepta-1,3,5-trien-1-yl)methyl]formamide
CID 126690292
N-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]formamide
CID 156168339
N-[(2E,3Z)-2-butylidene-5-(trifluoromethyl)hexa-3,5-dienyl]formamide
CID 170060818
N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide
CID 171558050
N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]formamide
CID 142801507
N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]formamide
CID 143389094
N-[2-(5-fluorocyclohepta-1,4,6-trien-1-yl)ethyl]formamide
CID 143501668
N-[[6-(difluoromethyl)-5-fluorocyclohepta-1,4,6-trien-1-yl]methyl]formamide
CID 143683177

Frequently Asked Questions

What is the IUPAC name of N-(cyclohepta-1,6-dien-1-ylmethyl)formamide?
The IUPAC name of N-(cyclohepta-1,6-dien-1-ylmethyl)formamide (CID 91071396) is N-(cyclohepta-1,6-dien-1-ylmethyl)formamide.
What is the SMILES notation for N-(cyclohepta-1,6-dien-1-ylmethyl)formamide?
The canonical SMILES for N-(cyclohepta-1,6-dien-1-ylmethyl)formamide is O=CNCC1=CCCCC=C1.
What is the InChIKey of N-(cyclohepta-1,6-dien-1-ylmethyl)formamide?
The InChIKey is VVOQFEBRIPLRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-8-10-7-9-5-3-1-2-4-6-9/h3,5-6,8H,1-2,4,7H2,(H,10,11).
What are the key properties of N-(cyclohepta-1,6-dien-1-ylmethyl)formamide?
N-(cyclohepta-1,6-dien-1-ylmethyl)formamide has a molecular weight of 151.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohepta-1,6-dien-1-ylmethyl)formamide is sourced from PubChem (CID 91071396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).