N-(8H-benzo[7]annulen-1-ylmethyl)-N-methylformamide

C14H15NO — CID 142939785

IUPACN-(8H-benzo[7]annulen-1-ylmethyl)-N-methylformamide
SMILESCN(C=O)Cc1cccc2c1=CCC=CC=2
InChIInChI=1S/C14H15NO/c1-15(11-16)10-13-8-5-7-12-6-3-2-4-9-14(12)13/h2-3,5-9,11H,4,10H2,1H3
InChIKeyOCLFFHAUFPRCMP-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.80
Rot. Bonds3

About N-(8H-benzo[7]annulen-1-ylmethyl)-N-methylformamide

N-(8H-benzo[7]annulen-1-ylmethyl)-N-methylformamide (PubChem CID 142939785) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(8H-benzo[7]annulen-1-ylmethyl)-N-methylformamide.

Molecular Properties

Compound NameN-(8H-benzo[7]annulen-1-ylmethyl)-N-methylformamide
PubChem CID142939785
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-(8H-benzo[7]annulen-1-ylmethyl)-N-methylformamide
SMILESCN(C=O)Cc1cccc2c1=CCC=CC=2
InChIInChI=1S/C14H15NO/c1-15(11-16)10-13-8-5-7-12-6-3-2-4-9-14(12)13/h2-3,5-9,11H,4,10H2,1H3
InChIKeyOCLFFHAUFPRCMP-UHFFFAOYSA-N
XLogP0.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(8H-benzo[7]annulen-1-ylmethyl)-N-methylformamide?
The IUPAC name of N-(8H-benzo[7]annulen-1-ylmethyl)-N-methylformamide (CID 142939785) is N-(8H-benzo[7]annulen-1-ylmethyl)-N-methylformamide.
What is the SMILES notation for N-(8H-benzo[7]annulen-1-ylmethyl)-N-methylformamide?
The canonical SMILES for N-(8H-benzo[7]annulen-1-ylmethyl)-N-methylformamide is CN(C=O)Cc1cccc2c1=CCC=CC=2.
What is the InChIKey of N-(8H-benzo[7]annulen-1-ylmethyl)-N-methylformamide?
The InChIKey is OCLFFHAUFPRCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-15(11-16)10-13-8-5-7-12-6-3-2-4-9-14(12)13/h2-3,5-9,11H,4,10H2,1H3.
What are the key properties of N-(8H-benzo[7]annulen-1-ylmethyl)-N-methylformamide?
N-(8H-benzo[7]annulen-1-ylmethyl)-N-methylformamide has a molecular weight of 213.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8H-benzo[7]annulen-1-ylmethyl)-N-methylformamide is sourced from PubChem (CID 142939785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).