3-cyclobutyl-4H-diazepine

C9H12N2 — CID 123771336

IUPAC3-cyclobutyl-4H-diazepine
SMILESC1=CCC(C2CCC2)=NN=C1
InChIInChI=1S/C9H12N2/c1-2-7-10-11-9(6-1)8-4-3-5-8/h1-2,7-8H,3-6H2
InChIKeyKCOYZEWXXWBNRU-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.17
Rot. Bonds1

About 3-cyclobutyl-4H-diazepine

3-cyclobutyl-4H-diazepine (PubChem CID 123771336) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-cyclobutyl-4H-diazepine.

Molecular Properties

Compound Name3-cyclobutyl-4H-diazepine
PubChem CID123771336
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3-cyclobutyl-4H-diazepine
SMILESC1=CCC(C2CCC2)=NN=C1
InChIInChI=1S/C9H12N2/c1-2-7-10-11-9(6-1)8-4-3-5-8/h1-2,7-8H,3-6H2
InChIKeyKCOYZEWXXWBNRU-UHFFFAOYSA-N
XLogP2.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclobutyl-4H-diazepine 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 3-cyclobutyl-4H-diazepine?
The IUPAC name of 3-cyclobutyl-4H-diazepine (CID 123771336) is 3-cyclobutyl-4H-diazepine.
What is the SMILES notation for 3-cyclobutyl-4H-diazepine?
The canonical SMILES for 3-cyclobutyl-4H-diazepine is C1=CCC(C2CCC2)=NN=C1.
What is the InChIKey of 3-cyclobutyl-4H-diazepine?
The InChIKey is KCOYZEWXXWBNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-7-10-11-9(6-1)8-4-3-5-8/h1-2,7-8H,3-6H2.
What are the key properties of 3-cyclobutyl-4H-diazepine?
3-cyclobutyl-4H-diazepine has a molecular weight of 148.21 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4H-diazepine is sourced from PubChem (CID 123771336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).