4-methyl-7-nitrosochromen-2-one

C10H7NO3 — CID 122373464

IUPAC4-methyl-7-nitrosochromen-2-one
SMILESCc1cc(=O)oc2cc(N=O)ccc12
InChIInChI=1S/C10H7NO3/c1-6-4-10(12)14-9-5-7(11-13)2-3-8(6)9/h2-5H,1H3
InChIKeyDETOSPRFIOLUBU-UHFFFAOYSA-N
MW189.17 g/mol
LogP2.50
Rot. Bonds1

About 4-methyl-7-nitrosochromen-2-one

4-methyl-7-nitrosochromen-2-one (PubChem CID 122373464) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-methyl-7-nitrosochromen-2-one.

Molecular Properties

Compound Name4-methyl-7-nitrosochromen-2-one
PubChem CID122373464
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name4-methyl-7-nitrosochromen-2-one
SMILESCc1cc(=O)oc2cc(N=O)ccc12
InChIInChI=1S/C10H7NO3/c1-6-4-10(12)14-9-5-7(11-13)2-3-8(6)9/h2-5H,1H3
InChIKeyDETOSPRFIOLUBU-UHFFFAOYSA-N
XLogP2.50
TPSA59.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-7-(2-methylpropylideneamino)chromen-2-one
CID 87174323
CID 89064299
CID 89064299
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
7-ethyl-4-methylchromen-2-one
CID 5160585
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
7-isocyano-4-methylchromen-2-one
CID 12971176
4-methyl-7-methylsulfinylchromen-2-one
CID 162642075
potassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide
CID 170902365
7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one
CID 102278578
7-hydroxy-4-methylchromen-2-one;sulfuric acid
CID 87147508
N-(2-aminoethyl)-4-[(4-methyl-2-oxochromen-7-yl)diazenyl]benzamide
CID 176902335
7-(2-hydroxyethyl)-4-methylchromen-2-one
CID 59776497

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-nitrosochromen-2-one?
The IUPAC name of 4-methyl-7-nitrosochromen-2-one (CID 122373464) is 4-methyl-7-nitrosochromen-2-one.
What is the SMILES notation for 4-methyl-7-nitrosochromen-2-one?
The canonical SMILES for 4-methyl-7-nitrosochromen-2-one is Cc1cc(=O)oc2cc(N=O)ccc12.
What is the InChIKey of 4-methyl-7-nitrosochromen-2-one?
The InChIKey is DETOSPRFIOLUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c1-6-4-10(12)14-9-5-7(11-13)2-3-8(6)9/h2-5H,1H3.
What are the key properties of 4-methyl-7-nitrosochromen-2-one?
4-methyl-7-nitrosochromen-2-one has a molecular weight of 189.17 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-nitrosochromen-2-one is sourced from PubChem (CID 122373464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).