1-[[(10R)-7-azaspiro[4.5]decan-10-yl]methyl]-4-chloropyridin-2-one

C15H21ClN2O — CID 165141931

IUPAC1-[[(10R)-7-azaspiro[4.5]decan-10-yl]methyl]-4-chloropyridin-2-one
SMILESO=c1cc(Cl)ccn1C[C@@H]1CCNCC12CCCC2
InChIInChI=1S/C15H21ClN2O/c16-13-4-8-18(14(19)9-13)10-12-3-7-17-11-15(12)5-1-2-6-15/h4,8-9,12,17H,1-3,5-7,10-11H2/t12-/m0/s1
InChIKeyAKGPYGGMEXXDTG-LBPRGKRZSA-N
MW280.80 g/mol
LogP2.67
Rot. Bonds2

About 1-[[(10R)-7-azaspiro[4.5]decan-10-yl]methyl]-4-chloropyridin-2-one

1-[[(10R)-7-azaspiro[4.5]decan-10-yl]methyl]-4-chloropyridin-2-one (PubChem CID 165141931) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[[(10R)-7-azaspiro[4.5]decan-10-yl]methyl]-4-chloropyridin-2-one.

Molecular Properties

Compound Name1-[[(10R)-7-azaspiro[4.5]decan-10-yl]methyl]-4-chloropyridin-2-one
PubChem CID165141931
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-[[(10R)-7-azaspiro[4.5]decan-10-yl]methyl]-4-chloropyridin-2-one
SMILESO=c1cc(Cl)ccn1C[C@@H]1CCNCC12CCCC2
InChIInChI=1S/C15H21ClN2O/c16-13-4-8-18(14(19)9-13)10-12-3-7-17-11-15(12)5-1-2-6-15/h4,8-9,12,17H,1-3,5-7,10-11H2/t12-/m0/s1
InChIKeyAKGPYGGMEXXDTG-LBPRGKRZSA-N
XLogP2.67
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(10R)-7-azaspiro[4.5]decan-10-yl]methyl]-4-chloropyridin-2-one?
The IUPAC name of 1-[[(10R)-7-azaspiro[4.5]decan-10-yl]methyl]-4-chloropyridin-2-one (CID 165141931) is 1-[[(10R)-7-azaspiro[4.5]decan-10-yl]methyl]-4-chloropyridin-2-one.
What is the SMILES notation for 1-[[(10R)-7-azaspiro[4.5]decan-10-yl]methyl]-4-chloropyridin-2-one?
The canonical SMILES for 1-[[(10R)-7-azaspiro[4.5]decan-10-yl]methyl]-4-chloropyridin-2-one is O=c1cc(Cl)ccn1C[C@@H]1CCNCC12CCCC2.
What is the InChIKey of 1-[[(10R)-7-azaspiro[4.5]decan-10-yl]methyl]-4-chloropyridin-2-one?
The InChIKey is AKGPYGGMEXXDTG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-13-4-8-18(14(19)9-13)10-12-3-7-17-11-15(12)5-1-2-6-15/h4,8-9,12,17H,1-3,5-7,10-11H2/t12-/m0/s1.
What are the key properties of 1-[[(10R)-7-azaspiro[4.5]decan-10-yl]methyl]-4-chloropyridin-2-one?
1-[[(10R)-7-azaspiro[4.5]decan-10-yl]methyl]-4-chloropyridin-2-one has a molecular weight of 280.80 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(10R)-7-azaspiro[4.5]decan-10-yl]methyl]-4-chloropyridin-2-one is sourced from PubChem (CID 165141931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).