1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-chloropyridin-2-one;hydrochloride

C15H22Cl2N2O — CID 175786786

IUPAC1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-chloropyridin-2-one;hydrochloride
SMILESCl.O=c1cc(Cl)ccn1CC1CCNCC12CCCC2
InChIInChI=1S/C15H21ClN2O.ClH/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;1H
InChIKeyBYUCWEQPSPFEFG-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.09
Rot. Bonds2

About 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-chloropyridin-2-one;hydrochloride

1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-chloropyridin-2-one;hydrochloride (PubChem CID 175786786) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-chloropyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-chloropyridin-2-one;hydrochloride
PubChem CID175786786
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-chloropyridin-2-one;hydrochloride
SMILESCl.O=c1cc(Cl)ccn1CC1CCNCC12CCCC2
InChIInChI=1S/C15H21ClN2O.ClH/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;1H
InChIKeyBYUCWEQPSPFEFG-UHFFFAOYSA-N
XLogP3.09
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-chloropyridin-2-one;hydrochloride?
The IUPAC name of 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-chloropyridin-2-one;hydrochloride (CID 175786786) is 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-chloropyridin-2-one;hydrochloride.
What is the SMILES notation for 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-chloropyridin-2-one;hydrochloride?
The canonical SMILES for 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-chloropyridin-2-one;hydrochloride is Cl.O=c1cc(Cl)ccn1CC1CCNCC12CCCC2.
What is the InChIKey of 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-chloropyridin-2-one;hydrochloride?
The InChIKey is BYUCWEQPSPFEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O.ClH/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;1H.
What are the key properties of 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-chloropyridin-2-one;hydrochloride?
1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-chloropyridin-2-one;hydrochloride has a molecular weight of 317.26 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-chloropyridin-2-one;hydrochloride is sourced from PubChem (CID 175786786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).