7-methylidenebicyclo[2.2.1]hepta-1,2-diene

C8H8 — CID 149429263

IUPAC7-methylidenebicyclo[2.2.1]hepta-1,2-diene
SMILESC=C1C2=C=CC1CC2
InChIInChI=1S/C8H8/c1-6-7-2-3-8(6)5-4-7/h2,7H,1,4-5H2
InChIKeyYUSOCTPZQCDDSN-UHFFFAOYSA-N
MW104.15 g/mol
LogP2.05
Rot. Bonds

About 7-methylidenebicyclo[2.2.1]hepta-1,2-diene

7-methylidenebicyclo[2.2.1]hepta-1,2-diene (PubChem CID 149429263) has the molecular formula C8H8 and a molecular weight of 104.15 g/mol. Its IUPAC name is 7-methylidenebicyclo[2.2.1]hepta-1,2-diene.

Molecular Properties

Compound Name7-methylidenebicyclo[2.2.1]hepta-1,2-diene
PubChem CID149429263
Molecular FormulaC8H8
Molecular Weight104.15 g/mol
Exact Mass104.06
IUPAC Name7-methylidenebicyclo[2.2.1]hepta-1,2-diene
SMILESC=C1C2=C=CC1CC2
InChIInChI=1S/C8H8/c1-6-7-2-3-8(6)5-4-7/h2,7H,1,4-5H2
InChIKeyYUSOCTPZQCDDSN-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene
CID 124556656
(4R)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene
CID 134964182
1-methyl-4-methylidene-2-(trifluoromethyl)cyclohexane
CID 90946116
1-bromo-4-methylidene-2-(trifluoromethyl)cyclohexane
CID 91338372
(1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane
CID 50919081
(1R)-1-methyl-3-methylidenecyclopentane
CID 58904772
6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene
CID 89018164
(6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene
CID 76969298
7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol
CID 54606271
5,6-dimethylidene-2,3-dioxabicyclo[2.2.2]octane
CID 131858390
1-methyl-2-methylidenecyclobutane
CID 20800914
5-methylidene-2-prop-1-en-2-ylcyclohexan-1-ol
CID 14867013

Frequently Asked Questions

What is the IUPAC name of 7-methylidenebicyclo[2.2.1]hepta-1,2-diene?
The IUPAC name of 7-methylidenebicyclo[2.2.1]hepta-1,2-diene (CID 149429263) is 7-methylidenebicyclo[2.2.1]hepta-1,2-diene.
What is the SMILES notation for 7-methylidenebicyclo[2.2.1]hepta-1,2-diene?
The canonical SMILES for 7-methylidenebicyclo[2.2.1]hepta-1,2-diene is C=C1C2=C=CC1CC2.
What is the InChIKey of 7-methylidenebicyclo[2.2.1]hepta-1,2-diene?
The InChIKey is YUSOCTPZQCDDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8/c1-6-7-2-3-8(6)5-4-7/h2,7H,1,4-5H2.
What are the key properties of 7-methylidenebicyclo[2.2.1]hepta-1,2-diene?
7-methylidenebicyclo[2.2.1]hepta-1,2-diene has a molecular weight of 104.15 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidenebicyclo[2.2.1]hepta-1,2-diene is sourced from PubChem (CID 149429263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).