1H-cyclohepta[b][1]benzofuran-2-amine

C13H11NO — CID 21221548

IUPAC1H-cyclohepta[b][1]benzofuran-2-amine
SMILESNC1=CC=c2oc3c(c2C1)C=CC=CC=3
InChIInChI=1S/C13H11NO/c14-9-6-7-13-11(8-9)10-4-2-1-3-5-12(10)15-13/h1-7H,8,14H2
InChIKeyGJUCAWYIAWECBW-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.82
Rot. Bonds

About 1H-cyclohepta[b][1]benzofuran-2-amine

1H-cyclohepta[b][1]benzofuran-2-amine (PubChem CID 21221548) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 1H-cyclohepta[b][1]benzofuran-2-amine.

Molecular Properties

Compound Name1H-cyclohepta[b][1]benzofuran-2-amine
PubChem CID21221548
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name1H-cyclohepta[b][1]benzofuran-2-amine
SMILESNC1=CC=c2oc3c(c2C1)C=CC=CC=3
InChIInChI=1S/C13H11NO/c14-9-6-7-13-11(8-9)10-4-2-1-3-5-12(10)15-13/h1-7H,8,14H2
InChIKeyGJUCAWYIAWECBW-UHFFFAOYSA-N
XLogP0.82
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-cyclohepta[b][1]benzofuran-2-amine?
The IUPAC name of 1H-cyclohepta[b][1]benzofuran-2-amine (CID 21221548) is 1H-cyclohepta[b][1]benzofuran-2-amine.
What is the SMILES notation for 1H-cyclohepta[b][1]benzofuran-2-amine?
The canonical SMILES for 1H-cyclohepta[b][1]benzofuran-2-amine is NC1=CC=c2oc3c(c2C1)C=CC=CC=3.
What is the InChIKey of 1H-cyclohepta[b][1]benzofuran-2-amine?
The InChIKey is GJUCAWYIAWECBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c14-9-6-7-13-11(8-9)10-4-2-1-3-5-12(10)15-13/h1-7H,8,14H2.
What are the key properties of 1H-cyclohepta[b][1]benzofuran-2-amine?
1H-cyclohepta[b][1]benzofuran-2-amine has a molecular weight of 197.24 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclohepta[b][1]benzofuran-2-amine is sourced from PubChem (CID 21221548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).