4-[(7-methyl-2-oxochromen-4-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one

C19H22N2O4 — CID 146139673

IUPAC4-[(7-methyl-2-oxochromen-4-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one
SMILESCc1ccc2c(CNC3C(=O)NCC34CCOCC4)cc(=O)oc2c1
InChIInChI=1S/C19H22N2O4/c1-12-2-3-14-13(9-16(22)25-15(14)8-12)10-20-17-18(23)21-11-19(17)4-6-24-7-5-19/h2-3,8-9,17,20H,4-7,10-11H2,1H3,(H,21,23)
InChIKeyMIFBGPPACNQLFY-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.49
Rot. Bonds3

About 4-[(7-methyl-2-oxochromen-4-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one

4-[(7-methyl-2-oxochromen-4-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one (PubChem CID 146139673) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 4-[(7-methyl-2-oxochromen-4-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-[(7-methyl-2-oxochromen-4-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one
PubChem CID146139673
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name4-[(7-methyl-2-oxochromen-4-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one
SMILESCc1ccc2c(CNC3C(=O)NCC34CCOCC4)cc(=O)oc2c1
InChIInChI=1S/C19H22N2O4/c1-12-2-3-14-13(9-16(22)25-15(14)8-12)10-20-17-18(23)21-11-19(17)4-6-24-7-5-19/h2-3,8-9,17,20H,4-7,10-11H2,1H3,(H,21,23)
InChIKeyMIFBGPPACNQLFY-UHFFFAOYSA-N
XLogP1.49
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-methyl-4-(methylaminomethyl)chromen-2-one
CID 27153679
4-[(3-chloronaphthalen-1-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one
CID 146139665
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CID 7536831
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4-[(2,2-dimethylpiperazin-1-yl)methyl]-7-methylchromen-2-one
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N-(4,4-difluorocyclohexyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 171909746
7-methyl-4-[(4-methylphenyl)sulfanylmethyl]chromen-2-one
CID 16528189
7-methyl-4-(pyridin-4-ylsulfanylmethyl)chromen-2-one
CID 154750047
2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
CID 40805355
4-[(7-methyl-2-oxochromen-4-yl)methyl]-3-phenylpiperazin-2-one
CID 122137341
2-(7-methyl-2-oxochromen-4-yl)acetate
CID 4257034
2-methyl-2-[(7-methyl-2-oxochromen-4-yl)methylamino]butanoic acid
CID 79788878

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methyl-2-oxochromen-4-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 4-[(7-methyl-2-oxochromen-4-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one (CID 146139673) is 4-[(7-methyl-2-oxochromen-4-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-[(7-methyl-2-oxochromen-4-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 4-[(7-methyl-2-oxochromen-4-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one is Cc1ccc2c(CNC3C(=O)NCC34CCOCC4)cc(=O)oc2c1.
What is the InChIKey of 4-[(7-methyl-2-oxochromen-4-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one?
The InChIKey is MIFBGPPACNQLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12-2-3-14-13(9-16(22)25-15(14)8-12)10-20-17-18(23)21-11-19(17)4-6-24-7-5-19/h2-3,8-9,17,20H,4-7,10-11H2,1H3,(H,21,23).
What are the key properties of 4-[(7-methyl-2-oxochromen-4-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one?
4-[(7-methyl-2-oxochromen-4-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one has a molecular weight of 342.39 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methyl-2-oxochromen-4-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 146139673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).