1H-benzo[7]annulene

C11H10 — CID 21319341

IUPAC1H-benzo[7]annulene
SMILESC1=CC=C2CC=CC=C2C=C1
InChIInChI=1S/C11H10/c1-2-6-10-8-4-5-9-11(10)7-3-1/h1-8H,9H2
InChIKeyZVCPCZRXWGOICC-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.93
Rot. Bonds

About 1H-benzo[7]annulene

1H-benzo[7]annulene (PubChem CID 21319341) has the molecular formula C11H10 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1H-benzo[7]annulene.

Molecular Properties

Compound Name1H-benzo[7]annulene
PubChem CID21319341
Molecular FormulaC11H10
Molecular Weight142.20 g/mol
Exact Mass142.08
IUPAC Name1H-benzo[7]annulene
SMILESC1=CC=C2CC=CC=C2C=C1
InChIInChI=1S/C11H10/c1-2-6-10-8-4-5-9-11(10)7-3-1/h1-8H,9H2
InChIKeyZVCPCZRXWGOICC-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1H-benzo[7]annulene?
The IUPAC name of 1H-benzo[7]annulene (CID 21319341) is 1H-benzo[7]annulene.
What is the SMILES notation for 1H-benzo[7]annulene?
The canonical SMILES for 1H-benzo[7]annulene is C1=CC=C2CC=CC=C2C=C1.
What is the InChIKey of 1H-benzo[7]annulene?
The InChIKey is ZVCPCZRXWGOICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10/c1-2-6-10-8-4-5-9-11(10)7-3-1/h1-8H,9H2.
What are the key properties of 1H-benzo[7]annulene?
1H-benzo[7]annulene has a molecular weight of 142.20 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzo[7]annulene is sourced from PubChem (CID 21319341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).