6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one

C20H20N2O4 — CID 166946107

IUPAC6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one
SMILESCC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1cc3ccccc3oc1=O)C2
InChIInChI=1S/C20H20N2O4/c1-19(2)9-20(8-14(21)16(19)23)10-22(11-20)17(24)13-7-12-5-3-4-6-15(12)26-18(13)25/h3-8H,9-11,21H2,1-2H3
InChIKeySBCUFYUPNUMPSU-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.08
Rot. Bonds1

About 6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one

6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one (PubChem CID 166946107) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one.

Molecular Properties

Compound Name6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one
PubChem CID166946107
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one
SMILESCC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1cc3ccccc3oc1=O)C2
InChIInChI=1S/C20H20N2O4/c1-19(2)9-20(8-14(21)16(19)23)10-22(11-20)17(24)13-7-12-5-3-4-6-15(12)26-18(13)25/h3-8H,9-11,21H2,1-2H3
InChIKeySBCUFYUPNUMPSU-UHFFFAOYSA-N
XLogP2.08
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-oxo-2H-chromene-3-carboxamide
CID 724217
N,N'-1,6-Hexanediylbis(2-oxo-2H-chromene-3-carboxamide)
CID 2054538
N-[2-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethyl]-2-oxochromene-3-carboxamide
CID 156014045
N-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethyl]-2-oxochromene-3-carboxamide
CID 156021377
N-(2-(cyclohex-1-en-1-yl)ethyl)-2-oxo-2H-chromene-3-carboxamide
CID 869045
ethyl 1-(2-oxo-2H-chromene-3-carbonyl)piperidine-3-carboxylate
CID 2980131
1-[Oxo-(2-oxo-1-benzopyran-3-yl)methyl]-4-piperidinecarboxylic acid methyl ester
CID 2235340
N,N-dihexyl-2-oxo-2H-chromene-3-carboxamide
CID 5169444
3-(4-methylpiperidine-1-carbonyl)-2H-chromen-2-one
CID 691569
3-(2-Ethylpiperidine-1-carbonyl)chromen-2-one
CID 5133688
3-[(3-methylpiperidin-1-yl)carbonyl]-2H-chromen-2-one
CID 4517368
N-cyclohexyl-N-ethyl(2-oxochromen-3-yl)carboxamide
CID 1143423

Frequently Asked Questions

What is the IUPAC name of 6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one?
The IUPAC name of 6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one (CID 166946107) is 6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one.
What is the SMILES notation for 6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one?
The canonical SMILES for 6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one is CC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1cc3ccccc3oc1=O)C2.
What is the InChIKey of 6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one?
The InChIKey is SBCUFYUPNUMPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-19(2)9-20(8-14(21)16(19)23)10-22(11-20)17(24)13-7-12-5-3-4-6-15(12)26-18(13)25/h3-8H,9-11,21H2,1-2H3.
What are the key properties of 6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one?
6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one has a molecular weight of 352.39 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one is sourced from PubChem (CID 166946107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).