N-[1-(hydroxymethyl)cyclobutyl]pentalene-1-carboxamide

C14H15NO2 — CID 141293217

IUPACN-[1-(hydroxymethyl)cyclobutyl]pentalene-1-carboxamide
SMILESO=C(NC1(CO)CCC1)C1=CC=C2C=CC=C21
InChIInChI=1S/C14H15NO2/c16-9-14(7-2-8-14)15-13(17)12-6-5-10-3-1-4-11(10)12/h1,3-6,16H,2,7-9H2,(H,15,17)
InChIKeyQSPGNSAZHJREQB-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.38
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclobutyl]pentalene-1-carboxamide

N-[1-(hydroxymethyl)cyclobutyl]pentalene-1-carboxamide (PubChem CID 141293217) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]pentalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]pentalene-1-carboxamide
PubChem CID141293217
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]pentalene-1-carboxamide
SMILESO=C(NC1(CO)CCC1)C1=CC=C2C=CC=C21
InChIInChI=1S/C14H15NO2/c16-9-14(7-2-8-14)15-13(17)12-6-5-10-3-1-4-11(10)12/h1,3-6,16H,2,7-9H2,(H,15,17)
InChIKeyQSPGNSAZHJREQB-UHFFFAOYSA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]pentalene-1-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]pentalene-1-carboxamide (CID 141293217) is N-[1-(hydroxymethyl)cyclobutyl]pentalene-1-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]pentalene-1-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]pentalene-1-carboxamide is O=C(NC1(CO)CCC1)C1=CC=C2C=CC=C21.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]pentalene-1-carboxamide?
The InChIKey is QSPGNSAZHJREQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-9-14(7-2-8-14)15-13(17)12-6-5-10-3-1-4-11(10)12/h1,3-6,16H,2,7-9H2,(H,15,17).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]pentalene-1-carboxamide?
N-[1-(hydroxymethyl)cyclobutyl]pentalene-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]pentalene-1-carboxamide is sourced from PubChem (CID 141293217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).