3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine

C11H13NO — CID 122480718

IUPAC3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine
SMILESNc1c2c(cc3c1CCO3)CCC2
InChIInChI=1S/C11H13NO/c12-11-8-3-1-2-7(8)6-10-9(11)4-5-13-10/h6H,1-5,12H2
InChIKeyWMVHXVXNSHZQIE-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.69
Rot. Bonds

About 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine

3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine (PubChem CID 122480718) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine.

Molecular Properties

Compound Name3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine
PubChem CID122480718
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine
SMILESNc1c2c(cc3c1CCO3)CCC2
InChIInChI=1S/C11H13NO/c12-11-8-3-1-2-7(8)6-10-9(11)4-5-13-10/h6H,1-5,12H2
InChIKeyWMVHXVXNSHZQIE-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine with MolForge

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Launch Full Analysis

Related Compounds

ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 145387694
2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine
CID 794240
2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 146303850
2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-thiol
CID 116986422
5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine
CID 146380579
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)ethanamine
CID 115010138
4,6-dimethyl-2,3-dihydro-1-benzofuran
CID 23113841
5-bromo-2,3,4,6,7,8,9,10-octahydropyrano[2,3-h][3]benzazepine
CID 159503853
5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine
CID 142522585
(2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine
CID 146610837
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine
CID 117464038
6-cyclopropyl-5-methyl-2,3-dihydro-1H-inden-4-amine
CID 146570694

Frequently Asked Questions

What is the IUPAC name of 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine?
The IUPAC name of 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine (CID 122480718) is 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine.
What is the SMILES notation for 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine?
The canonical SMILES for 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine is Nc1c2c(cc3c1CCO3)CCC2.
What is the InChIKey of 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine?
The InChIKey is WMVHXVXNSHZQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c12-11-8-3-1-2-7(8)6-10-9(11)4-5-13-10/h6H,1-5,12H2.
What are the key properties of 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine?
3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine has a molecular weight of 175.23 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine is sourced from PubChem (CID 122480718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).