3-methylbicyclo[4.1.0]hepta-2,4-diene

C8H10 — CID 123395946

IUPAC3-methylbicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC2CC2C=C1
InChIInChI=1S/C8H10/c1-6-2-3-7-5-8(7)4-6/h2-4,7-8H,5H2,1H3
InChIKeyVRFWVQKIMXFURL-UHFFFAOYSA-N
MW106.17 g/mol
LogP2.14
Rot. Bonds

About 3-methylbicyclo[4.1.0]hepta-2,4-diene

3-methylbicyclo[4.1.0]hepta-2,4-diene (PubChem CID 123395946) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is 3-methylbicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name3-methylbicyclo[4.1.0]hepta-2,4-diene
PubChem CID123395946
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name3-methylbicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC2CC2C=C1
InChIInChI=1S/C8H10/c1-6-2-3-7-5-8(7)4-6/h2-4,7-8H,5H2,1H3
InChIKeyVRFWVQKIMXFURL-UHFFFAOYSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(2Z)-3-fluoro-6-methylbicyclo[6.1.0]nona-2,4,6-triene
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5-methyl-1,3,3a,7a-tetrahydroinden-2-one
CID 58169662
N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine
CID 143038917
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1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran
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(4S)-4,7-dimethyl-3,4,4a,8a-tetrahydro-1H-isochromene
CID 134221246
3-(bromomethyl)bicyclo[4.1.0]hepta-2,4-diene
CID 163529142
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CID 89049672
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Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 3-methylbicyclo[4.1.0]hepta-2,4-diene (CID 123395946) is 3-methylbicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 3-methylbicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 3-methylbicyclo[4.1.0]hepta-2,4-diene is CC1=CC2CC2C=C1.
What is the InChIKey of 3-methylbicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is VRFWVQKIMXFURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-6-2-3-7-5-8(7)4-6/h2-4,7-8H,5H2,1H3.
What are the key properties of 3-methylbicyclo[4.1.0]hepta-2,4-diene?
3-methylbicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 106.17 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 123395946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).