6-(furan-2-ylmethylamino)-7-methylchromen-2-one

C15H13NO3 — CID 45104075

IUPAC6-(furan-2-ylmethylamino)-7-methylchromen-2-one
SMILESCc1cc2oc(=O)ccc2cc1NCc1ccco1
InChIInChI=1S/C15H13NO3/c1-10-7-14-11(4-5-15(17)19-14)8-13(10)16-9-12-3-2-6-18-12/h2-8,16H,9H2,1H3
InChIKeyKJWJXDMNDUOGQU-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.31
Rot. Bonds3

About 6-(furan-2-ylmethylamino)-7-methylchromen-2-one

6-(furan-2-ylmethylamino)-7-methylchromen-2-one (PubChem CID 45104075) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 6-(furan-2-ylmethylamino)-7-methylchromen-2-one.

Molecular Properties

Compound Name6-(furan-2-ylmethylamino)-7-methylchromen-2-one
PubChem CID45104075
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name6-(furan-2-ylmethylamino)-7-methylchromen-2-one
SMILESCc1cc2oc(=O)ccc2cc1NCc1ccco1
InChIInChI=1S/C15H13NO3/c1-10-7-14-11(4-5-15(17)19-14)8-13(10)16-9-12-3-2-6-18-12/h2-8,16H,9H2,1H3
InChIKeyKJWJXDMNDUOGQU-UHFFFAOYSA-N
XLogP3.31
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethylamino)-7-methylchromen-2-one?
The IUPAC name of 6-(furan-2-ylmethylamino)-7-methylchromen-2-one (CID 45104075) is 6-(furan-2-ylmethylamino)-7-methylchromen-2-one.
What is the SMILES notation for 6-(furan-2-ylmethylamino)-7-methylchromen-2-one?
The canonical SMILES for 6-(furan-2-ylmethylamino)-7-methylchromen-2-one is Cc1cc2oc(=O)ccc2cc1NCc1ccco1.
What is the InChIKey of 6-(furan-2-ylmethylamino)-7-methylchromen-2-one?
The InChIKey is KJWJXDMNDUOGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10-7-14-11(4-5-15(17)19-14)8-13(10)16-9-12-3-2-6-18-12/h2-8,16H,9H2,1H3.
What are the key properties of 6-(furan-2-ylmethylamino)-7-methylchromen-2-one?
6-(furan-2-ylmethylamino)-7-methylchromen-2-one has a molecular weight of 255.27 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethylamino)-7-methylchromen-2-one is sourced from PubChem (CID 45104075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).