4-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine

C8H11N — CID 89217026

IUPAC4-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine
SMILESCC1=CC2CC2C(N)=C1
InChIInChI=1S/C8H11N/c1-5-2-6-4-7(6)8(9)3-5/h2-3,6-7H,4,9H2,1H3
InChIKeyAISWIAOIGQMESK-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.42
Rot. Bonds

About 4-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine

4-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine (PubChem CID 89217026) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 4-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine.

Molecular Properties

Compound Name4-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine
PubChem CID89217026
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name4-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine
SMILESCC1=CC2CC2C(N)=C1
InChIInChI=1S/C8H11N/c1-5-2-6-4-7(6)8(9)3-5/h2-3,6-7H,4,9H2,1H3
InChIKeyAISWIAOIGQMESK-UHFFFAOYSA-N
XLogP1.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine?
The IUPAC name of 4-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine (CID 89217026) is 4-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine.
What is the SMILES notation for 4-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine?
The canonical SMILES for 4-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine is CC1=CC2CC2C(N)=C1.
What is the InChIKey of 4-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine?
The InChIKey is AISWIAOIGQMESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-5-2-6-4-7(6)8(9)3-5/h2-3,6-7H,4,9H2,1H3.
What are the key properties of 4-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine?
4-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine has a molecular weight of 121.18 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine is sourced from PubChem (CID 89217026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).