1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one

C19H23ClN2O2 — CID 163314072

IUPAC1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2CC2=Cc3cc(Cl)ccc3OC2)C1=O
InChIInChI=1S/C19H23ClN2O2/c1-21-8-2-6-19(18(21)23)7-3-9-22(19)12-14-10-15-11-16(20)4-5-17(15)24-13-14/h4-5,10-11H,2-3,6-9,12-13H2,1H3
InChIKeyYVWFLYRYBXFWEY-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.20
Rot. Bonds2

About 1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one

1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163314072) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163314072
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2CC2=Cc3cc(Cl)ccc3OC2)C1=O
InChIInChI=1S/C19H23ClN2O2/c1-21-8-2-6-19(18(21)23)7-3-9-22(19)12-14-10-15-11-16(20)4-5-17(15)24-13-14/h4-5,10-11H,2-3,6-9,12-13H2,1H3
InChIKeyYVWFLYRYBXFWEY-UHFFFAOYSA-N
XLogP3.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one with MolForge

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Related Compounds

(4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135119230
1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162630647
1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride
CID 115616011
N-[(6-chloro-2H-chromen-3-yl)methyl]propan-1-amine
CID 115605423
N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine
CID 115615997
1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 163317379
1-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 111114453
9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635016
9-benzyl-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317012
2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol
CID 111421748
9-methyl-1-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162633253
1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625681

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one (CID 163314072) is 1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one is CN1CCCC2(CCCN2CC2=Cc3cc(Cl)ccc3OC2)C1=O.
What is the InChIKey of 1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is YVWFLYRYBXFWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-21-8-2-6-19(18(21)23)7-3-9-22(19)12-14-10-15-11-16(20)4-5-17(15)24-13-14/h4-5,10-11H,2-3,6-9,12-13H2,1H3.
What are the key properties of 1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 346.86 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163314072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).