spiro[1-benzazepine-4,3'-cyclopentane]-1'-carboxylic acid

C15H15NO2 — CID 68766728

IUPACspiro[1-benzazepine-4,3'-cyclopentane]-1'-carboxylic acid
SMILESO=C(O)C1CCC2(C=CN=c3ccccc3=C2)C1
InChIInChI=1S/C15H15NO2/c17-14(18)12-5-6-15(10-12)7-8-16-13-4-2-1-3-11(13)9-15/h1-4,7-9,12H,5-6,10H2,(H,17,18)
InChIKeyZKZOIWBLOYDXCP-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.49
Rot. Bonds1

About spiro[1-benzazepine-4,3'-cyclopentane]-1'-carboxylic acid

spiro[1-benzazepine-4,3'-cyclopentane]-1'-carboxylic acid (PubChem CID 68766728) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is spiro[1-benzazepine-4,3'-cyclopentane]-1'-carboxylic acid.

Molecular Properties

Compound Namespiro[1-benzazepine-4,3'-cyclopentane]-1'-carboxylic acid
PubChem CID68766728
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namespiro[1-benzazepine-4,3'-cyclopentane]-1'-carboxylic acid
SMILESO=C(O)C1CCC2(C=CN=c3ccccc3=C2)C1
InChIInChI=1S/C15H15NO2/c17-14(18)12-5-6-15(10-12)7-8-16-13-4-2-1-3-11(13)9-15/h1-4,7-9,12H,5-6,10H2,(H,17,18)
InChIKeyZKZOIWBLOYDXCP-UHFFFAOYSA-N
XLogP1.49
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1-benzazepine-4,3'-cyclopentane]-1'-carboxylic acid?
The IUPAC name of spiro[1-benzazepine-4,3'-cyclopentane]-1'-carboxylic acid (CID 68766728) is spiro[1-benzazepine-4,3'-cyclopentane]-1'-carboxylic acid.
What is the SMILES notation for spiro[1-benzazepine-4,3'-cyclopentane]-1'-carboxylic acid?
The canonical SMILES for spiro[1-benzazepine-4,3'-cyclopentane]-1'-carboxylic acid is O=C(O)C1CCC2(C=CN=c3ccccc3=C2)C1.
What is the InChIKey of spiro[1-benzazepine-4,3'-cyclopentane]-1'-carboxylic acid?
The InChIKey is ZKZOIWBLOYDXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-14(18)12-5-6-15(10-12)7-8-16-13-4-2-1-3-11(13)9-15/h1-4,7-9,12H,5-6,10H2,(H,17,18).
What are the key properties of spiro[1-benzazepine-4,3'-cyclopentane]-1'-carboxylic acid?
spiro[1-benzazepine-4,3'-cyclopentane]-1'-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1-benzazepine-4,3'-cyclopentane]-1'-carboxylic acid is sourced from PubChem (CID 68766728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).