3-(propylamino)chromen-2-one

C12H13NO2 — CID 139817324

IUPAC3-(propylamino)chromen-2-one
SMILESCCCNc1cc2ccccc2oc1=O
InChIInChI=1S/C12H13NO2/c1-2-7-13-10-8-9-5-3-4-6-11(9)15-12(10)14/h3-6,8,13H,2,7H2,1H3
InChIKeyQQVXIHZVANVQCP-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.61
Rot. Bonds3

About 3-(propylamino)chromen-2-one

3-(propylamino)chromen-2-one (PubChem CID 139817324) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(propylamino)chromen-2-one.

Molecular Properties

Compound Name3-(propylamino)chromen-2-one
PubChem CID139817324
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(propylamino)chromen-2-one
SMILESCCCNc1cc2ccccc2oc1=O
InChIInChI=1S/C12H13NO2/c1-2-7-13-10-8-9-5-3-4-6-11(9)15-12(10)14/h3-6,8,13H,2,7H2,1H3
InChIKeyQQVXIHZVANVQCP-UHFFFAOYSA-N
XLogP2.61
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.61
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 3-(propylamino)chromen-2-one?
The IUPAC name of 3-(propylamino)chromen-2-one (CID 139817324) is 3-(propylamino)chromen-2-one.
What is the SMILES notation for 3-(propylamino)chromen-2-one?
The canonical SMILES for 3-(propylamino)chromen-2-one is CCCNc1cc2ccccc2oc1=O.
What is the InChIKey of 3-(propylamino)chromen-2-one?
The InChIKey is QQVXIHZVANVQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-7-13-10-8-9-5-3-4-6-11(9)15-12(10)14/h3-6,8,13H,2,7H2,1H3.
What are the key properties of 3-(propylamino)chromen-2-one?
3-(propylamino)chromen-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)chromen-2-one is sourced from PubChem (CID 139817324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).