1H-benzo[7]annulen-1-amine

C11H11N — CID 87495729

IUPAC1H-benzo[7]annulen-1-amine
SMILESNC1C=CC=C2C=CC=CC=C21
InChIInChI=1S/C11H11N/c12-11-8-4-6-9-5-2-1-3-7-10(9)11/h1-8,11H,12H2
InChIKeySRGHTELVPDTMSI-UHFFFAOYSA-N
MW157.22 g/mol
LogP1.86
Rot. Bonds

About 1H-benzo[7]annulen-1-amine

1H-benzo[7]annulen-1-amine (PubChem CID 87495729) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 1H-benzo[7]annulen-1-amine.

Molecular Properties

Compound Name1H-benzo[7]annulen-1-amine
PubChem CID87495729
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name1H-benzo[7]annulen-1-amine
SMILESNC1C=CC=C2C=CC=CC=C21
InChIInChI=1S/C11H11N/c12-11-8-4-6-9-5-2-1-3-7-10(9)11/h1-8,11H,12H2
InChIKeySRGHTELVPDTMSI-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-benzo[7]annulen-1-amine?
The IUPAC name of 1H-benzo[7]annulen-1-amine (CID 87495729) is 1H-benzo[7]annulen-1-amine.
What is the SMILES notation for 1H-benzo[7]annulen-1-amine?
The canonical SMILES for 1H-benzo[7]annulen-1-amine is NC1C=CC=C2C=CC=CC=C21.
What is the InChIKey of 1H-benzo[7]annulen-1-amine?
The InChIKey is SRGHTELVPDTMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c12-11-8-4-6-9-5-2-1-3-7-10(9)11/h1-8,11H,12H2.
What are the key properties of 1H-benzo[7]annulen-1-amine?
1H-benzo[7]annulen-1-amine has a molecular weight of 157.22 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzo[7]annulen-1-amine is sourced from PubChem (CID 87495729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).