4-amino-7-methyl-3-nitrochromen-2-one

C10H8N2O4 — CID 88988269

IUPAC4-amino-7-methyl-3-nitrochromen-2-one
SMILESCc1ccc2c(N)c([N+](=O)[O-])c(=O)oc2c1
InChIInChI=1S/C10H8N2O4/c1-5-2-3-6-7(4-5)16-10(13)9(8(6)11)12(14)15/h2-4H,11H2,1H3
InChIKeyIGBVWPYYNFUNKC-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.59
Rot. Bonds1

About 4-amino-7-methyl-3-nitrochromen-2-one

4-amino-7-methyl-3-nitrochromen-2-one (PubChem CID 88988269) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 4-amino-7-methyl-3-nitrochromen-2-one.

Molecular Properties

Compound Name4-amino-7-methyl-3-nitrochromen-2-one
PubChem CID88988269
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name4-amino-7-methyl-3-nitrochromen-2-one
SMILESCc1ccc2c(N)c([N+](=O)[O-])c(=O)oc2c1
InChIInChI=1S/C10H8N2O4/c1-5-2-3-6-7(4-5)16-10(13)9(8(6)11)12(14)15/h2-4H,11H2,1H3
InChIKeyIGBVWPYYNFUNKC-UHFFFAOYSA-N
XLogP1.59
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methyl-3-nitrochromen-2-one?
The IUPAC name of 4-amino-7-methyl-3-nitrochromen-2-one (CID 88988269) is 4-amino-7-methyl-3-nitrochromen-2-one.
What is the SMILES notation for 4-amino-7-methyl-3-nitrochromen-2-one?
The canonical SMILES for 4-amino-7-methyl-3-nitrochromen-2-one is Cc1ccc2c(N)c([N+](=O)[O-])c(=O)oc2c1.
What is the InChIKey of 4-amino-7-methyl-3-nitrochromen-2-one?
The InChIKey is IGBVWPYYNFUNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-5-2-3-6-7(4-5)16-10(13)9(8(6)11)12(14)15/h2-4H,11H2,1H3.
What are the key properties of 4-amino-7-methyl-3-nitrochromen-2-one?
4-amino-7-methyl-3-nitrochromen-2-one has a molecular weight of 220.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-methyl-3-nitrochromen-2-one is sourced from PubChem (CID 88988269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).