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

C11H13NO4 — CID 91622426

IUPAC3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(cc1OC)C(=O)C(N)CO2
InChIInChI=1S/C11H13NO4/c1-14-9-3-6-8(4-10(9)15-2)16-5-7(12)11(6)13/h3-4,7H,5,12H2,1-2H3
InChIKeyHAPNKXCGDNEERQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.61
Rot. Bonds2

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

3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one (PubChem CID 91622426) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one
PubChem CID91622426
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(cc1OC)C(=O)C(N)CO2
InChIInChI=1S/C11H13NO4/c1-14-9-3-6-8(4-10(9)15-2)16-5-7(12)11(6)13/h3-4,7H,5,12H2,1-2H3
InChIKeyHAPNKXCGDNEERQ-UHFFFAOYSA-N
XLogP0.61
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one
CID 82603967
5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 55269219
3-amino-6-hydroxy-2,3-dihydrochromen-4-one
CID 155195436
3-amino-6-bromo-2,3-dihydrochromen-4-one
CID 71390958
6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine
CID 55294789
4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119057116
3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 55292013
ethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 170367856
(3S)-3-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 139085157
(3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile
CID 130707445
(3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 131002588
(3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 130625417

Frequently Asked Questions

What is the IUPAC name of 3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one (CID 91622426) is 3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one is COc1cc2c(cc1OC)C(=O)C(N)CO2.
What is the InChIKey of 3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one?
The InChIKey is HAPNKXCGDNEERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-14-9-3-6-8(4-10(9)15-2)16-5-7(12)11(6)13/h3-4,7H,5,12H2,1-2H3.
What are the key properties of 3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one?
3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one has a molecular weight of 223.23 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 91622426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).