4-chloro-1-[[(10S)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one;hydrochloride

C15H22Cl2N2O2 — CID 155682833

IUPAC4-chloro-1-[[(10S)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one;hydrochloride
SMILESCl.O=c1cc(Cl)ccn1C[C@]1(O)CCNCC12CCCC2
InChIInChI=1S/C15H21ClN2O2.ClH/c16-12-3-8-18(13(19)9-12)11-15(20)6-7-17-10-14(15)4-1-2-5-14;/h3,8-9,17,20H,1-2,4-7,10-11H2;1H/t15-;/m1./s1
InChIKeyUFTNXGYUZIWIAU-XFULWGLBSA-N
MW333.26 g/mol
LogP2.21
Rot. Bonds2

About 4-chloro-1-[[(10S)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one;hydrochloride

4-chloro-1-[[(10S)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one;hydrochloride (PubChem CID 155682833) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 4-chloro-1-[[(10S)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-chloro-1-[[(10S)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one;hydrochloride
PubChem CID155682833
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name4-chloro-1-[[(10S)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one;hydrochloride
SMILESCl.O=c1cc(Cl)ccn1C[C@]1(O)CCNCC12CCCC2
InChIInChI=1S/C15H21ClN2O2.ClH/c16-12-3-8-18(13(19)9-12)11-15(20)6-7-17-10-14(15)4-1-2-5-14;/h3,8-9,17,20H,1-2,4-7,10-11H2;1H/t15-;/m1./s1
InChIKeyUFTNXGYUZIWIAU-XFULWGLBSA-N
XLogP2.21
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-1-[[(10S)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[[(10S)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one;hydrochloride?
The IUPAC name of 4-chloro-1-[[(10S)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one;hydrochloride (CID 155682833) is 4-chloro-1-[[(10S)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one;hydrochloride.
What is the SMILES notation for 4-chloro-1-[[(10S)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one;hydrochloride?
The canonical SMILES for 4-chloro-1-[[(10S)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one;hydrochloride is Cl.O=c1cc(Cl)ccn1C[C@]1(O)CCNCC12CCCC2.
What is the InChIKey of 4-chloro-1-[[(10S)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one;hydrochloride?
The InChIKey is UFTNXGYUZIWIAU-XFULWGLBSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c16-12-3-8-18(13(19)9-12)11-15(20)6-7-17-10-14(15)4-1-2-5-14;/h3,8-9,17,20H,1-2,4-7,10-11H2;1H/t15-;/m1./s1.
What are the key properties of 4-chloro-1-[[(10S)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one;hydrochloride?
4-chloro-1-[[(10S)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[[(10S)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one;hydrochloride is sourced from PubChem (CID 155682833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).