7-(benzylamino)-3,4-dimethylchromen-2-one

C18H17NO2 — CID 10826534

IUPAC7-(benzylamino)-3,4-dimethylchromen-2-one
SMILESCc1c(C)c2ccc(NCc3ccccc3)cc2oc1=O
InChIInChI=1S/C18H17NO2/c1-12-13(2)18(20)21-17-10-15(8-9-16(12)17)19-11-14-6-4-3-5-7-14/h3-10,19H,11H2,1-2H3
InChIKeyZGGFUBONROMQTB-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.02
Rot. Bonds3

About 7-(benzylamino)-3,4-dimethylchromen-2-one

7-(benzylamino)-3,4-dimethylchromen-2-one (PubChem CID 10826534) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-(benzylamino)-3,4-dimethylchromen-2-one.

Molecular Properties

Compound Name7-(benzylamino)-3,4-dimethylchromen-2-one
PubChem CID10826534
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name7-(benzylamino)-3,4-dimethylchromen-2-one
SMILESCc1c(C)c2ccc(NCc3ccccc3)cc2oc1=O
InChIInChI=1S/C18H17NO2/c1-12-13(2)18(20)21-17-10-15(8-9-16(12)17)19-11-14-6-4-3-5-7-14/h3-10,19H,11H2,1-2H3
InChIKeyZGGFUBONROMQTB-UHFFFAOYSA-N
XLogP4.02
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.02
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 7-(benzylamino)-3,4-dimethylchromen-2-one?
The IUPAC name of 7-(benzylamino)-3,4-dimethylchromen-2-one (CID 10826534) is 7-(benzylamino)-3,4-dimethylchromen-2-one.
What is the SMILES notation for 7-(benzylamino)-3,4-dimethylchromen-2-one?
The canonical SMILES for 7-(benzylamino)-3,4-dimethylchromen-2-one is Cc1c(C)c2ccc(NCc3ccccc3)cc2oc1=O.
What is the InChIKey of 7-(benzylamino)-3,4-dimethylchromen-2-one?
The InChIKey is ZGGFUBONROMQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-13(2)18(20)21-17-10-15(8-9-16(12)17)19-11-14-6-4-3-5-7-14/h3-10,19H,11H2,1-2H3.
What are the key properties of 7-(benzylamino)-3,4-dimethylchromen-2-one?
7-(benzylamino)-3,4-dimethylchromen-2-one has a molecular weight of 279.34 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzylamino)-3,4-dimethylchromen-2-one is sourced from PubChem (CID 10826534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).