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

C15H16N2O2 — CID 158315875

IUPACN-[1-(methylcarbamoyl)cyclobutyl]pentalene-1-carboxamide
SMILESCNC(=O)C1(NC(=O)C2=C3C=CC=C3C=C2)CCC1
InChIInChI=1S/C15H16N2O2/c1-16-14(19)15(8-3-9-15)17-13(18)12-7-6-10-4-2-5-11(10)12/h2,4-7H,3,8-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyGOGCYCHTMQYYME-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.13
Rot. Bonds3

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

N-[1-(methylcarbamoyl)cyclobutyl]pentalene-1-carboxamide (PubChem CID 158315875) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[1-(methylcarbamoyl)cyclobutyl]pentalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(methylcarbamoyl)cyclobutyl]pentalene-1-carboxamide
PubChem CID158315875
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[1-(methylcarbamoyl)cyclobutyl]pentalene-1-carboxamide
SMILESCNC(=O)C1(NC(=O)C2=C3C=CC=C3C=C2)CCC1
InChIInChI=1S/C15H16N2O2/c1-16-14(19)15(8-3-9-15)17-13(18)12-7-6-10-4-2-5-11(10)12/h2,4-7H,3,8-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyGOGCYCHTMQYYME-UHFFFAOYSA-N
XLogP1.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(methylcarbamoyl)cyclobutyl]pentalene-1-carboxamide?
The IUPAC name of N-[1-(methylcarbamoyl)cyclobutyl]pentalene-1-carboxamide (CID 158315875) is N-[1-(methylcarbamoyl)cyclobutyl]pentalene-1-carboxamide.
What is the SMILES notation for N-[1-(methylcarbamoyl)cyclobutyl]pentalene-1-carboxamide?
The canonical SMILES for N-[1-(methylcarbamoyl)cyclobutyl]pentalene-1-carboxamide is CNC(=O)C1(NC(=O)C2=C3C=CC=C3C=C2)CCC1.
What is the InChIKey of N-[1-(methylcarbamoyl)cyclobutyl]pentalene-1-carboxamide?
The InChIKey is GOGCYCHTMQYYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-16-14(19)15(8-3-9-15)17-13(18)12-7-6-10-4-2-5-11(10)12/h2,4-7H,3,8-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[1-(methylcarbamoyl)cyclobutyl]pentalene-1-carboxamide?
N-[1-(methylcarbamoyl)cyclobutyl]pentalene-1-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylcarbamoyl)cyclobutyl]pentalene-1-carboxamide is sourced from PubChem (CID 158315875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).