N-[(4-methylcyclohepta-2,4-dien-1-yl)methyl]formamide

C10H15NO — CID 143483748

IUPACN-[(4-methylcyclohepta-2,4-dien-1-yl)methyl]formamide
SMILESCC1=CCCC(CNC=O)C=C1
InChIInChI=1S/C10H15NO/c1-9-3-2-4-10(6-5-9)7-11-8-12/h3,5-6,8,10H,2,4,7H2,1H3,(H,11,12)
InChIKeyOTNLSMULPPCJTL-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.64
Rot. Bonds3

About N-[(4-methylcyclohepta-2,4-dien-1-yl)methyl]formamide

N-[(4-methylcyclohepta-2,4-dien-1-yl)methyl]formamide (PubChem CID 143483748) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(4-methylcyclohepta-2,4-dien-1-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(4-methylcyclohepta-2,4-dien-1-yl)methyl]formamide
PubChem CID143483748
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-[(4-methylcyclohepta-2,4-dien-1-yl)methyl]formamide
SMILESCC1=CCCC(CNC=O)C=C1
InChIInChI=1S/C10H15NO/c1-9-3-2-4-10(6-5-9)7-11-8-12/h3,5-6,8,10H,2,4,7H2,1H3,(H,11,12)
InChIKeyOTNLSMULPPCJTL-UHFFFAOYSA-N
XLogP1.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-methyl-5-(trifluoromethyl)cyclohepta-1,5,6-trien-1-yl]propyl]formamide
CID 123980269
N-[2-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethyl]formamide
CID 141898540
N-[2-(5-fluorocyclohepta-1,4,6-trien-1-yl)ethyl]formamide
CID 143501668
N-[2-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]ethyl]formamide
CID 144442031
N-[[5-(1,1-difluoroethyl)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]formamide
CID 162602089
N-(2-cyclohexa-1,3-dien-1-ylethyl)formamide
CID 19888920
N-(3,7-dimethyloct-6-enyl)formamide
CID 86076600
N-(8-tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaenylmethyl)formamide
CID 88845755
N-[(8-methyl-7-bicyclo[4.1.1]octa-2,4-dienyl)methyl]formamide
CID 89379174
N-(cyclohepta-1,6-dien-1-ylmethyl)formamide
CID 91071396
N-(2-cyclohexa-1,5-dien-1-ylethyl)formamide
CID 91296364
N-[(Z)-hept-5-enyl]formamide
CID 117607222

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohepta-2,4-dien-1-yl)methyl]formamide?
The IUPAC name of N-[(4-methylcyclohepta-2,4-dien-1-yl)methyl]formamide (CID 143483748) is N-[(4-methylcyclohepta-2,4-dien-1-yl)methyl]formamide.
What is the SMILES notation for N-[(4-methylcyclohepta-2,4-dien-1-yl)methyl]formamide?
The canonical SMILES for N-[(4-methylcyclohepta-2,4-dien-1-yl)methyl]formamide is CC1=CCCC(CNC=O)C=C1.
What is the InChIKey of N-[(4-methylcyclohepta-2,4-dien-1-yl)methyl]formamide?
The InChIKey is OTNLSMULPPCJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-9-3-2-4-10(6-5-9)7-11-8-12/h3,5-6,8,10H,2,4,7H2,1H3,(H,11,12).
What are the key properties of N-[(4-methylcyclohepta-2,4-dien-1-yl)methyl]formamide?
N-[(4-methylcyclohepta-2,4-dien-1-yl)methyl]formamide has a molecular weight of 165.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohepta-2,4-dien-1-yl)methyl]formamide is sourced from PubChem (CID 143483748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).