9aH-benzo[7]annulen-5-amine

C11H11N — CID 23509767

IUPAC9aH-benzo[7]annulen-5-amine
SMILESNC1=C2C=CC=CC2C=CC=C1
InChIInChI=1S/C11H11N/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1-9H,12H2
InChIKeyVGKQYTRDTAJYGV-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.07
Rot. Bonds

About 9aH-benzo[7]annulen-5-amine

9aH-benzo[7]annulen-5-amine (PubChem CID 23509767) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 9aH-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name9aH-benzo[7]annulen-5-amine
PubChem CID23509767
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name9aH-benzo[7]annulen-5-amine
SMILESNC1=C2C=CC=CC2C=CC=C1
InChIInChI=1S/C11H11N/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1-9H,12H2
InChIKeyVGKQYTRDTAJYGV-UHFFFAOYSA-N
XLogP2.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9aH-benzo[7]annulen-5-amine?
The IUPAC name of 9aH-benzo[7]annulen-5-amine (CID 23509767) is 9aH-benzo[7]annulen-5-amine.
What is the SMILES notation for 9aH-benzo[7]annulen-5-amine?
The canonical SMILES for 9aH-benzo[7]annulen-5-amine is NC1=C2C=CC=CC2C=CC=C1.
What is the InChIKey of 9aH-benzo[7]annulen-5-amine?
The InChIKey is VGKQYTRDTAJYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1-9H,12H2.
What are the key properties of 9aH-benzo[7]annulen-5-amine?
9aH-benzo[7]annulen-5-amine has a molecular weight of 157.22 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9aH-benzo[7]annulen-5-amine is sourced from PubChem (CID 23509767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).