7-azaspiro[4.5]decane;4-chloro-1-methylpyridin-2-one

C15H23ClN2O — CID 165141946

IUPAC7-azaspiro[4.5]decane;4-chloro-1-methylpyridin-2-one
SMILESC1CCC2(C1)CCCNC2.Cn1ccc(Cl)cc1=O
InChIInChI=1S/C9H17N.C6H6ClNO/c1-2-5-9(4-1)6-3-7-10-8-9;1-8-3-2-5(7)4-6(8)9/h10H,1-8H2;2-4H,1H3
InChIKeyKIEMBXHGUQWMAS-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.97
Rot. Bonds

About 7-azaspiro[4.5]decane;4-chloro-1-methylpyridin-2-one

7-azaspiro[4.5]decane;4-chloro-1-methylpyridin-2-one (PubChem CID 165141946) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 7-azaspiro[4.5]decane;4-chloro-1-methylpyridin-2-one.

Molecular Properties

Compound Name7-azaspiro[4.5]decane;4-chloro-1-methylpyridin-2-one
PubChem CID165141946
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name7-azaspiro[4.5]decane;4-chloro-1-methylpyridin-2-one
SMILESC1CCC2(C1)CCCNC2.Cn1ccc(Cl)cc1=O
InChIInChI=1S/C9H17N.C6H6ClNO/c1-2-5-9(4-1)6-3-7-10-8-9;1-8-3-2-5(7)4-6(8)9/h10H,1-8H2;2-4H,1H3
InChIKeyKIEMBXHGUQWMAS-UHFFFAOYSA-N
XLogP2.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-azaspiro[4.5]decane;4-chloro-1-methylpyridin-2-one?
The IUPAC name of 7-azaspiro[4.5]decane;4-chloro-1-methylpyridin-2-one (CID 165141946) is 7-azaspiro[4.5]decane;4-chloro-1-methylpyridin-2-one.
What is the SMILES notation for 7-azaspiro[4.5]decane;4-chloro-1-methylpyridin-2-one?
The canonical SMILES for 7-azaspiro[4.5]decane;4-chloro-1-methylpyridin-2-one is C1CCC2(C1)CCCNC2.Cn1ccc(Cl)cc1=O.
What is the InChIKey of 7-azaspiro[4.5]decane;4-chloro-1-methylpyridin-2-one?
The InChIKey is KIEMBXHGUQWMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C6H6ClNO/c1-2-5-9(4-1)6-3-7-10-8-9;1-8-3-2-5(7)4-6(8)9/h10H,1-8H2;2-4H,1H3.
What are the key properties of 7-azaspiro[4.5]decane;4-chloro-1-methylpyridin-2-one?
7-azaspiro[4.5]decane;4-chloro-1-methylpyridin-2-one has a molecular weight of 282.81 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azaspiro[4.5]decane;4-chloro-1-methylpyridin-2-one is sourced from PubChem (CID 165141946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).