4-(methylamino)chromen-2-one

C10H9NO2 — CID 2754626

IUPAC4-(methylamino)chromen-2-one
SMILESCNc1cc(=O)oc2ccccc12
InChIInChI=1S/C10H9NO2/c1-11-8-6-10(12)13-9-5-3-2-4-7(8)9/h2-6,11H,1H3
InChIKeyCWLKMQXURQSPMF-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.83
Rot. Bonds1

About 4-(methylamino)chromen-2-one

4-(methylamino)chromen-2-one (PubChem CID 2754626) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(methylamino)chromen-2-one.

Molecular Properties

Compound Name4-(methylamino)chromen-2-one
PubChem CID2754626
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4-(methylamino)chromen-2-one
SMILESCNc1cc(=O)oc2ccccc12
InChIInChI=1S/C10H9NO2/c1-11-8-6-10(12)13-9-5-3-2-4-7(8)9/h2-6,11H,1H3
InChIKeyCWLKMQXURQSPMF-UHFFFAOYSA-N
XLogP1.83
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)chromen-2-one?
The IUPAC name of 4-(methylamino)chromen-2-one (CID 2754626) is 4-(methylamino)chromen-2-one.
What is the SMILES notation for 4-(methylamino)chromen-2-one?
The canonical SMILES for 4-(methylamino)chromen-2-one is CNc1cc(=O)oc2ccccc12.
What is the InChIKey of 4-(methylamino)chromen-2-one?
The InChIKey is CWLKMQXURQSPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-11-8-6-10(12)13-9-5-3-2-4-7(8)9/h2-6,11H,1H3.
What are the key properties of 4-(methylamino)chromen-2-one?
4-(methylamino)chromen-2-one has a molecular weight of 175.19 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)chromen-2-one is sourced from PubChem (CID 2754626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).