7-amino-4-methoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one

C12H13NO3 — CID 171725879

IUPAC7-amino-4-methoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one
SMILESCOc1cc2c(c3c1CC(=O)O3)CC(N)C2
InChIInChI=1S/C12H13NO3/c1-15-10-3-6-2-7(13)4-8(6)12-9(10)5-11(14)16-12/h3,7H,2,4-5,13H2,1H3
InChIKeyGDAZHKNIHDEXGE-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.58
Rot. Bonds1

About 7-amino-4-methoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one

7-amino-4-methoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one (PubChem CID 171725879) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 7-amino-4-methoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one.

Molecular Properties

Compound Name7-amino-4-methoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one
PubChem CID171725879
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name7-amino-4-methoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one
SMILESCOc1cc2c(c3c1CC(=O)O3)CC(N)C2
InChIInChI=1S/C12H13NO3/c1-15-10-3-6-2-7(13)4-8(6)12-9(10)5-11(14)16-12/h3,7H,2,4-5,13H2,1H3
InChIKeyGDAZHKNIHDEXGE-UHFFFAOYSA-N
XLogP0.58
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-4-ethoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one
CID 171725922
8-amino-4,7,8,9-tetrahydro-3H-cyclopenta[h]chromen-2-one
CID 171725940
4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid
CID 166125815
(6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 129392139
(2R)-5,6-difluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 20755564
6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 11138151
7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10130349
6,7,8-trimethoxy-4H-isochromene-1,3-dione
CID 82159711
5,6-dimethoxy-3,8-dihydrocyclobuta[b]naphthalene-1,2-dione
CID 10752785
methyl 3-[(2-amino-6-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]propanoate
CID 166125549
4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]butanal
CID 166125541
(4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one
CID 129406280

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-methoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one?
The IUPAC name of 7-amino-4-methoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one (CID 171725879) is 7-amino-4-methoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one.
What is the SMILES notation for 7-amino-4-methoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one?
The canonical SMILES for 7-amino-4-methoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one is COc1cc2c(c3c1CC(=O)O3)CC(N)C2.
What is the InChIKey of 7-amino-4-methoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one?
The InChIKey is GDAZHKNIHDEXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-15-10-3-6-2-7(13)4-8(6)12-9(10)5-11(14)16-12/h3,7H,2,4-5,13H2,1H3.
What are the key properties of 7-amino-4-methoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one?
7-amino-4-methoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one has a molecular weight of 219.24 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-methoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one is sourced from PubChem (CID 171725879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).