8-amino-4,7,8,9-tetrahydro-3H-cyclopenta[h]chromen-2-one

C12H13NO2 — CID 171725940

IUPAC8-amino-4,7,8,9-tetrahydro-3H-cyclopenta[h]chromen-2-one
SMILESNC1Cc2ccc3c(c2C1)OC(=O)CC3
InChIInChI=1S/C12H13NO2/c13-9-5-8-2-1-7-3-4-11(14)15-12(7)10(8)6-9/h1-2,9H,3-6,13H2
InChIKeyDCVVYTMYMAUTEJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.96
Rot. Bonds

About 8-amino-4,7,8,9-tetrahydro-3H-cyclopenta[h]chromen-2-one

8-amino-4,7,8,9-tetrahydro-3H-cyclopenta[h]chromen-2-one (PubChem CID 171725940) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 8-amino-4,7,8,9-tetrahydro-3H-cyclopenta[h]chromen-2-one.

Molecular Properties

Compound Name8-amino-4,7,8,9-tetrahydro-3H-cyclopenta[h]chromen-2-one
PubChem CID171725940
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name8-amino-4,7,8,9-tetrahydro-3H-cyclopenta[h]chromen-2-one
SMILESNC1Cc2ccc3c(c2C1)OC(=O)CC3
InChIInChI=1S/C12H13NO2/c13-9-5-8-2-1-7-3-4-11(14)15-12(7)10(8)6-9/h1-2,9H,3-6,13H2
InChIKeyDCVVYTMYMAUTEJ-UHFFFAOYSA-N
XLogP0.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-amino-4,7,8,9-tetrahydro-3H-cyclopenta[h]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-amino-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-2-one
CID 171725898
7-amino-4-methoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one
CID 171725879
7-amino-4-ethoxy-3,6,7,8-tetrahydrocyclopenta[g][1]benzofuran-2-one
CID 171725922
3,4-dihydrobenzo[h]chromen-2-one
CID 19694428
4,5-dichloro-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 134818625
8-methyl-3,4-dihydrochromen-2-one
CID 23513095
3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione
CID 612770
oxolane-2,5-dione;zinc
CID 159620051
6,8-difluoro-3,4-dihydrochromen-2-one
CID 83397289
(2R)-5-chloro-1,2,3,4-tetrahydronaphthalene-2,6-diamine
CID 130898043
(2R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55294774
2,3-dihydro-1H-inden-2-amine;ethane
CID 142154792

Frequently Asked Questions

What is the IUPAC name of 8-amino-4,7,8,9-tetrahydro-3H-cyclopenta[h]chromen-2-one?
The IUPAC name of 8-amino-4,7,8,9-tetrahydro-3H-cyclopenta[h]chromen-2-one (CID 171725940) is 8-amino-4,7,8,9-tetrahydro-3H-cyclopenta[h]chromen-2-one.
What is the SMILES notation for 8-amino-4,7,8,9-tetrahydro-3H-cyclopenta[h]chromen-2-one?
The canonical SMILES for 8-amino-4,7,8,9-tetrahydro-3H-cyclopenta[h]chromen-2-one is NC1Cc2ccc3c(c2C1)OC(=O)CC3.
What is the InChIKey of 8-amino-4,7,8,9-tetrahydro-3H-cyclopenta[h]chromen-2-one?
The InChIKey is DCVVYTMYMAUTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c13-9-5-8-2-1-7-3-4-11(14)15-12(7)10(8)6-9/h1-2,9H,3-6,13H2.
What are the key properties of 8-amino-4,7,8,9-tetrahydro-3H-cyclopenta[h]chromen-2-one?
8-amino-4,7,8,9-tetrahydro-3H-cyclopenta[h]chromen-2-one has a molecular weight of 203.24 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4,7,8,9-tetrahydro-3H-cyclopenta[h]chromen-2-one is sourced from PubChem (CID 171725940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).