4-(2-hydroxyethylamino)-3-nitrochromen-2-one

C11H10N2O5 — CID 568369

IUPAC4-(2-hydroxyethylamino)-3-nitrochromen-2-one
SMILESO=c1oc2ccccc2c(NCCO)c1[N+](=O)[O-]
InChIInChI=1S/C11H10N2O5/c14-6-5-12-9-7-3-1-2-4-8(7)18-11(15)10(9)13(16)17/h1-4,12,14H,5-6H2
InChIKeyLMWQULDDYOFSED-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.11
Rot. Bonds4

About 4-(2-hydroxyethylamino)-3-nitrochromen-2-one

4-(2-hydroxyethylamino)-3-nitrochromen-2-one (PubChem CID 568369) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)-3-nitrochromen-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)-3-nitrochromen-2-one
PubChem CID568369
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name4-(2-hydroxyethylamino)-3-nitrochromen-2-one
SMILESO=c1oc2ccccc2c(NCCO)c1[N+](=O)[O-]
InChIInChI=1S/C11H10N2O5/c14-6-5-12-9-7-3-1-2-4-8(7)18-11(15)10(9)13(16)17/h1-4,12,14H,5-6H2
InChIKeyLMWQULDDYOFSED-UHFFFAOYSA-N
XLogP1.11
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze 4-(2-hydroxyethylamino)-3-nitrochromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)-3-nitrochromen-2-one?
The IUPAC name of 4-(2-hydroxyethylamino)-3-nitrochromen-2-one (CID 568369) is 4-(2-hydroxyethylamino)-3-nitrochromen-2-one.
What is the SMILES notation for 4-(2-hydroxyethylamino)-3-nitrochromen-2-one?
The canonical SMILES for 4-(2-hydroxyethylamino)-3-nitrochromen-2-one is O=c1oc2ccccc2c(NCCO)c1[N+](=O)[O-].
What is the InChIKey of 4-(2-hydroxyethylamino)-3-nitrochromen-2-one?
The InChIKey is LMWQULDDYOFSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c14-6-5-12-9-7-3-1-2-4-8(7)18-11(15)10(9)13(16)17/h1-4,12,14H,5-6H2.
What are the key properties of 4-(2-hydroxyethylamino)-3-nitrochromen-2-one?
4-(2-hydroxyethylamino)-3-nitrochromen-2-one has a molecular weight of 250.21 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)-3-nitrochromen-2-one is sourced from PubChem (CID 568369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).