6-azaspiro[3.4]octan-6-yl-(4-chloro-2-hydroxyphenyl)methanone

C14H16ClNO2 — CID 127464426

IUPAC6-azaspiro[3.4]octan-6-yl-(4-chloro-2-hydroxyphenyl)methanone
SMILESO=C(c1ccc(Cl)cc1O)N1CCC2(CCC2)C1
InChIInChI=1S/C14H16ClNO2/c15-10-2-3-11(12(17)8-10)13(18)16-7-6-14(9-16)4-1-5-14/h2-3,8,17H,1,4-7,9H2
InChIKeyBSIGLPVSMUKMDB-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.06
Rot. Bonds1

About 6-azaspiro[3.4]octan-6-yl-(4-chloro-2-hydroxyphenyl)methanone

6-azaspiro[3.4]octan-6-yl-(4-chloro-2-hydroxyphenyl)methanone (PubChem CID 127464426) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 6-azaspiro[3.4]octan-6-yl-(4-chloro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name6-azaspiro[3.4]octan-6-yl-(4-chloro-2-hydroxyphenyl)methanone
PubChem CID127464426
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name6-azaspiro[3.4]octan-6-yl-(4-chloro-2-hydroxyphenyl)methanone
SMILESO=C(c1ccc(Cl)cc1O)N1CCC2(CCC2)C1
InChIInChI=1S/C14H16ClNO2/c15-10-2-3-11(12(17)8-10)13(18)16-7-6-14(9-16)4-1-5-14/h2-3,8,17H,1,4-7,9H2
InChIKeyBSIGLPVSMUKMDB-UHFFFAOYSA-N
XLogP3.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octan-6-yl-(4-chloro-2-hydroxyphenyl)methanone?
The IUPAC name of 6-azaspiro[3.4]octan-6-yl-(4-chloro-2-hydroxyphenyl)methanone (CID 127464426) is 6-azaspiro[3.4]octan-6-yl-(4-chloro-2-hydroxyphenyl)methanone.
What is the SMILES notation for 6-azaspiro[3.4]octan-6-yl-(4-chloro-2-hydroxyphenyl)methanone?
The canonical SMILES for 6-azaspiro[3.4]octan-6-yl-(4-chloro-2-hydroxyphenyl)methanone is O=C(c1ccc(Cl)cc1O)N1CCC2(CCC2)C1.
What is the InChIKey of 6-azaspiro[3.4]octan-6-yl-(4-chloro-2-hydroxyphenyl)methanone?
The InChIKey is BSIGLPVSMUKMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-10-2-3-11(12(17)8-10)13(18)16-7-6-14(9-16)4-1-5-14/h2-3,8,17H,1,4-7,9H2.
What are the key properties of 6-azaspiro[3.4]octan-6-yl-(4-chloro-2-hydroxyphenyl)methanone?
6-azaspiro[3.4]octan-6-yl-(4-chloro-2-hydroxyphenyl)methanone has a molecular weight of 265.74 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octan-6-yl-(4-chloro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 127464426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).