3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one

C11H13NO2 — CID 82603967

IUPAC3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one
SMILESCc1cc2c(cc1C)C(=O)C(N)CO2
InChIInChI=1S/C11H13NO2/c1-6-3-8-10(4-7(6)2)14-5-9(12)11(8)13/h3-4,9H,5,12H2,1-2H3
InChIKeyRHIZGEIZPZTXQU-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.21
Rot. Bonds

About 3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one

3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one (PubChem CID 82603967) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one
PubChem CID82603967
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one
SMILESCc1cc2c(cc1C)C(=O)C(N)CO2
InChIInChI=1S/C11H13NO2/c1-6-3-8-10(4-7(6)2)14-5-9(12)11(8)13/h3-4,9H,5,12H2,1-2H3
InChIKeyRHIZGEIZPZTXQU-UHFFFAOYSA-N
XLogP1.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine
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(5aS,6aR,12aR,13aR)-2,3,9,10-tetramethyl-5a,6,6a,12a,13,13a-hexahydropentacene-5,7,12,14-tetrone
CID 98169198
3-hydroxy-6-methyl-2,3-dihydrochromen-4-one
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Frequently Asked Questions

What is the IUPAC name of 3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one?
The IUPAC name of 3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one (CID 82603967) is 3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one is Cc1cc2c(cc1C)C(=O)C(N)CO2.
What is the InChIKey of 3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one?
The InChIKey is RHIZGEIZPZTXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-6-3-8-10(4-7(6)2)14-5-9(12)11(8)13/h3-4,9H,5,12H2,1-2H3.
What are the key properties of 3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one?
3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one has a molecular weight of 191.23 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 82603967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).