2-(1-aminoethyl)-6-methylchromen-4-one

C12H13NO2 — CID 90993613

IUPAC2-(1-aminoethyl)-6-methylchromen-4-one
SMILESCc1ccc2oc(C(C)N)cc(=O)c2c1
InChIInChI=1S/C12H13NO2/c1-7-3-4-11-9(5-7)10(14)6-12(15-11)8(2)13/h3-6,8H,13H2,1-2H3
InChIKeyCBGCKQQHWILZMP-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.12
Rot. Bonds1

About 2-(1-aminoethyl)-6-methylchromen-4-one

2-(1-aminoethyl)-6-methylchromen-4-one (PubChem CID 90993613) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(1-aminoethyl)-6-methylchromen-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-6-methylchromen-4-one
PubChem CID90993613
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(1-aminoethyl)-6-methylchromen-4-one
SMILESCc1ccc2oc(C(C)N)cc(=O)c2c1
InChIInChI=1S/C12H13NO2/c1-7-3-4-11-9(5-7)10(14)6-12(15-11)8(2)13/h3-6,8H,13H2,1-2H3
InChIKeyCBGCKQQHWILZMP-UHFFFAOYSA-N
XLogP2.12
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-6-methylchromen-4-one?
The IUPAC name of 2-(1-aminoethyl)-6-methylchromen-4-one (CID 90993613) is 2-(1-aminoethyl)-6-methylchromen-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-6-methylchromen-4-one?
The canonical SMILES for 2-(1-aminoethyl)-6-methylchromen-4-one is Cc1ccc2oc(C(C)N)cc(=O)c2c1.
What is the InChIKey of 2-(1-aminoethyl)-6-methylchromen-4-one?
The InChIKey is CBGCKQQHWILZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-3-4-11-9(5-7)10(14)6-12(15-11)8(2)13/h3-6,8H,13H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-6-methylchromen-4-one?
2-(1-aminoethyl)-6-methylchromen-4-one has a molecular weight of 203.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-6-methylchromen-4-one is sourced from PubChem (CID 90993613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).