N-(1-methylcyclobutyl)pentalene-1-carboxamide

C14H15NO — CID 141293193

IUPACN-(1-methylcyclobutyl)pentalene-1-carboxamide
SMILESCC1(NC(=O)C2=CC=C3C=CC=C32)CCC1
InChIInChI=1S/C14H15NO/c1-14(8-3-9-14)15-13(16)12-7-6-10-4-2-5-11(10)12/h2,4-7H,3,8-9H2,1H3,(H,15,16)
InChIKeyIKRMLMIKVVJODS-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.41
Rot. Bonds2

About N-(1-methylcyclobutyl)pentalene-1-carboxamide

N-(1-methylcyclobutyl)pentalene-1-carboxamide (PubChem CID 141293193) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(1-methylcyclobutyl)pentalene-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylcyclobutyl)pentalene-1-carboxamide
PubChem CID141293193
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-(1-methylcyclobutyl)pentalene-1-carboxamide
SMILESCC1(NC(=O)C2=CC=C3C=CC=C32)CCC1
InChIInChI=1S/C14H15NO/c1-14(8-3-9-14)15-13(16)12-7-6-10-4-2-5-11(10)12/h2,4-7H,3,8-9H2,1H3,(H,15,16)
InChIKeyIKRMLMIKVVJODS-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1-methylcyclobutyl)pentalene-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclobutyl)pentalene-1-carboxamide?
The IUPAC name of N-(1-methylcyclobutyl)pentalene-1-carboxamide (CID 141293193) is N-(1-methylcyclobutyl)pentalene-1-carboxamide.
What is the SMILES notation for N-(1-methylcyclobutyl)pentalene-1-carboxamide?
The canonical SMILES for N-(1-methylcyclobutyl)pentalene-1-carboxamide is CC1(NC(=O)C2=CC=C3C=CC=C32)CCC1.
What is the InChIKey of N-(1-methylcyclobutyl)pentalene-1-carboxamide?
The InChIKey is IKRMLMIKVVJODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-14(8-3-9-14)15-13(16)12-7-6-10-4-2-5-11(10)12/h2,4-7H,3,8-9H2,1H3,(H,15,16).
What are the key properties of N-(1-methylcyclobutyl)pentalene-1-carboxamide?
N-(1-methylcyclobutyl)pentalene-1-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclobutyl)pentalene-1-carboxamide is sourced from PubChem (CID 141293193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).