4-(dimethylamino)-3-methylchromen-2-one

C12H13NO2 — CID 87273287

IUPAC4-(dimethylamino)-3-methylchromen-2-one
SMILESCc1c(N(C)C)c2ccccc2oc1=O
InChIInChI=1S/C12H13NO2/c1-8-11(13(2)3)9-6-4-5-7-10(9)15-12(8)14/h4-7H,1-3H3
InChIKeyMQVRAQWAQINKNU-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.17
Rot. Bonds1

About 4-(dimethylamino)-3-methylchromen-2-one

4-(dimethylamino)-3-methylchromen-2-one (PubChem CID 87273287) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(dimethylamino)-3-methylchromen-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-3-methylchromen-2-one
PubChem CID87273287
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-(dimethylamino)-3-methylchromen-2-one
SMILESCc1c(N(C)C)c2ccccc2oc1=O
InChIInChI=1S/C12H13NO2/c1-8-11(13(2)3)9-6-4-5-7-10(9)15-12(8)14/h4-7H,1-3H3
InChIKeyMQVRAQWAQINKNU-UHFFFAOYSA-N
XLogP2.17
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
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-(dimethylamino)-3-methylchromen-2-one?
The IUPAC name of 4-(dimethylamino)-3-methylchromen-2-one (CID 87273287) is 4-(dimethylamino)-3-methylchromen-2-one.
What is the SMILES notation for 4-(dimethylamino)-3-methylchromen-2-one?
The canonical SMILES for 4-(dimethylamino)-3-methylchromen-2-one is Cc1c(N(C)C)c2ccccc2oc1=O.
What is the InChIKey of 4-(dimethylamino)-3-methylchromen-2-one?
The InChIKey is MQVRAQWAQINKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-11(13(2)3)9-6-4-5-7-10(9)15-12(8)14/h4-7H,1-3H3.
What are the key properties of 4-(dimethylamino)-3-methylchromen-2-one?
4-(dimethylamino)-3-methylchromen-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-methylchromen-2-one is sourced from PubChem (CID 87273287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).