benzo[g][1]benzofuran-5-amine

C12H9NO — CID 141105046

IUPACbenzo[g][1]benzofuran-5-amine
SMILESNc1cc2ccoc2c2ccccc12
InChIInChI=1S/C12H9NO/c13-11-7-8-5-6-14-12(8)10-4-2-1-3-9(10)11/h1-7H,13H2
InChIKeyQNYKSOWSQSUDGR-UHFFFAOYSA-N
MW183.21 g/mol
LogP3.17
Rot. Bonds

About benzo[g][1]benzofuran-5-amine

benzo[g][1]benzofuran-5-amine (PubChem CID 141105046) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is benzo[g][1]benzofuran-5-amine.

Molecular Properties

Compound Namebenzo[g][1]benzofuran-5-amine
PubChem CID141105046
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Namebenzo[g][1]benzofuran-5-amine
SMILESNc1cc2ccoc2c2ccccc12
InChIInChI=1S/C12H9NO/c13-11-7-8-5-6-14-12(8)10-4-2-1-3-9(10)11/h1-7H,13H2
InChIKeyQNYKSOWSQSUDGR-UHFFFAOYSA-N
XLogP3.17
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-phenylbenzo[g][1]benzofuran
CID 12588747
phenanthren-9-amine
CID 13695
8H-furo[3,2-g]indol-4-amine
CID 69040704
2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 135177858
5-propan-2-yl-1-benzofuran-7-amine
CID 146232668
benzo[g][1]benzofuran-4-ylboronic acid
CID 171854414
benzo[e][1]benzofuran-4-carbaldehyde
CID 102499967
7-(2-hydroxynaphthalen-1-yl)-1-benzofuran-6-ol
CID 163867392
3,6-diphenylphenanthren-9-amine
CID 118552026
4-chlorobenzo[g][1]benzofuran
CID 176753824
7-amino-1-benzofuran-6-ol
CID 83914018
24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine
CID 45276365

Frequently Asked Questions

What is the IUPAC name of benzo[g][1]benzofuran-5-amine?
The IUPAC name of benzo[g][1]benzofuran-5-amine (CID 141105046) is benzo[g][1]benzofuran-5-amine.
What is the SMILES notation for benzo[g][1]benzofuran-5-amine?
The canonical SMILES for benzo[g][1]benzofuran-5-amine is Nc1cc2ccoc2c2ccccc12.
What is the InChIKey of benzo[g][1]benzofuran-5-amine?
The InChIKey is QNYKSOWSQSUDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c13-11-7-8-5-6-14-12(8)10-4-2-1-3-9(10)11/h1-7H,13H2.
What are the key properties of benzo[g][1]benzofuran-5-amine?
benzo[g][1]benzofuran-5-amine has a molecular weight of 183.21 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g][1]benzofuran-5-amine is sourced from PubChem (CID 141105046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).