1-(1H-1,3-benzodiazepin-2-yl)cyclopentan-1-ol

C14H16N2O — CID 174397798

IUPAC1-(1H-1,3-benzodiazepin-2-yl)cyclopentan-1-ol
SMILESOC1(C2=NC=Cc3ccccc3N2)CCCC1
InChIInChI=1S/C14H16N2O/c17-14(8-3-4-9-14)13-15-10-7-11-5-1-2-6-12(11)16-13/h1-2,5-7,10,17H,3-4,8-9H2,(H,15,16)
InChIKeyXJFSFQZDHSVKCI-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.79
Rot. Bonds1

About 1-(1H-1,3-benzodiazepin-2-yl)cyclopentan-1-ol

1-(1H-1,3-benzodiazepin-2-yl)cyclopentan-1-ol (PubChem CID 174397798) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(1H-1,3-benzodiazepin-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(1H-1,3-benzodiazepin-2-yl)cyclopentan-1-ol
PubChem CID174397798
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(1H-1,3-benzodiazepin-2-yl)cyclopentan-1-ol
SMILESOC1(C2=NC=Cc3ccccc3N2)CCCC1
InChIInChI=1S/C14H16N2O/c17-14(8-3-4-9-14)13-15-10-7-11-5-1-2-6-12(11)16-13/h1-2,5-7,10,17H,3-4,8-9H2,(H,15,16)
InChIKeyXJFSFQZDHSVKCI-UHFFFAOYSA-N
XLogP2.79
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1H-1,3-benzodiazepin-2-yl)cyclopentan-1-ol 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 1-(1H-1,3-benzodiazepin-2-yl)cyclopentan-1-ol?
The IUPAC name of 1-(1H-1,3-benzodiazepin-2-yl)cyclopentan-1-ol (CID 174397798) is 1-(1H-1,3-benzodiazepin-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 1-(1H-1,3-benzodiazepin-2-yl)cyclopentan-1-ol?
The canonical SMILES for 1-(1H-1,3-benzodiazepin-2-yl)cyclopentan-1-ol is OC1(C2=NC=Cc3ccccc3N2)CCCC1.
What is the InChIKey of 1-(1H-1,3-benzodiazepin-2-yl)cyclopentan-1-ol?
The InChIKey is XJFSFQZDHSVKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14(8-3-4-9-14)13-15-10-7-11-5-1-2-6-12(11)16-13/h1-2,5-7,10,17H,3-4,8-9H2,(H,15,16).
What are the key properties of 1-(1H-1,3-benzodiazepin-2-yl)cyclopentan-1-ol?
1-(1H-1,3-benzodiazepin-2-yl)cyclopentan-1-ol has a molecular weight of 228.30 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,3-benzodiazepin-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 174397798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).