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

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Related Compounds

2-(2-phenylethenyl)-1H-1,3-benzodiazepine
CID 140619418
2-(1H-quinolin-2-ylidene)-1H-quinoline
CID 162286112
spiro[1H-quinoline-2,1'-cyclobutane]
CID 154342616
1H-1-benzazepine-2,3-diol;hydrobromide
CID 70528531
copper;1-phenylcyclohexan-1-ol
CID 174727157
8,11-dihydro-7H-benzo[b][1]benzazepine
CID 15390653
ethane;1-phenylcyclohexan-1-ol
CID 144640846
2-(1-hydroxycyclopentyl)benzene-1,3-diol
CID 117104102
11H-pyrido[3,2-b][1]benzazepine
CID 69308854
azane;1-phenylcyclobutan-1-ol
CID 175547532
2-methylsulfanyl-1H-1-benzazepine
CID 70427825
1H-1,2-benzodiazepine;diazepane
CID 66669180

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).