spiro[1-benzazepine-4,2'-cyclopentane]-1'-one

C14H13NO — CID 67455972

IUPACspiro[1-benzazepine-4,2'-cyclopentane]-1'-one
SMILESO=C1CCCC12C=CN=c1ccccc1=C2
InChIInChI=1S/C14H13NO/c16-13-6-3-7-14(13)8-9-15-12-5-2-1-4-11(12)10-14/h1-2,4-5,8-10H,3,6-7H2
InChIKeyOUFPJBCVKWXRSG-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.35
Rot. Bonds

About spiro[1-benzazepine-4,2'-cyclopentane]-1'-one

spiro[1-benzazepine-4,2'-cyclopentane]-1'-one (PubChem CID 67455972) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is spiro[1-benzazepine-4,2'-cyclopentane]-1'-one.

Molecular Properties

Compound Namespiro[1-benzazepine-4,2'-cyclopentane]-1'-one
PubChem CID67455972
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Namespiro[1-benzazepine-4,2'-cyclopentane]-1'-one
SMILESO=C1CCCC12C=CN=c1ccccc1=C2
InChIInChI=1S/C14H13NO/c16-13-6-3-7-14(13)8-9-15-12-5-2-1-4-11(12)10-14/h1-2,4-5,8-10H,3,6-7H2
InChIKeyOUFPJBCVKWXRSG-UHFFFAOYSA-N
XLogP1.35
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1-benzazepine-4,2'-cyclopentane]-1'-one?
The IUPAC name of spiro[1-benzazepine-4,2'-cyclopentane]-1'-one (CID 67455972) is spiro[1-benzazepine-4,2'-cyclopentane]-1'-one.
What is the SMILES notation for spiro[1-benzazepine-4,2'-cyclopentane]-1'-one?
The canonical SMILES for spiro[1-benzazepine-4,2'-cyclopentane]-1'-one is O=C1CCCC12C=CN=c1ccccc1=C2.
What is the InChIKey of spiro[1-benzazepine-4,2'-cyclopentane]-1'-one?
The InChIKey is OUFPJBCVKWXRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c16-13-6-3-7-14(13)8-9-15-12-5-2-1-4-11(12)10-14/h1-2,4-5,8-10H,3,6-7H2.
What are the key properties of spiro[1-benzazepine-4,2'-cyclopentane]-1'-one?
spiro[1-benzazepine-4,2'-cyclopentane]-1'-one has a molecular weight of 211.26 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1-benzazepine-4,2'-cyclopentane]-1'-one is sourced from PubChem (CID 67455972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).