(4S)-7-methylbicyclo[2.2.1]hept-2-ene

C8H12 — CID 143323028

IUPAC(4S)-7-methylbicyclo[2.2.1]hept-2-ene
SMILESCC1C2C=C[C@@H]1CC2
InChIInChI=1S/C8H12/c1-6-7-2-3-8(6)5-4-7/h2-3,6-8H,4-5H2,1H3/t6?,7-,8?/m1/s1
InChIKeyAVFRNNALLLVPGJ-ZUEIMRROSA-N
MW108.18 g/mol
LogP2.22
Rot. Bonds

About (4S)-7-methylbicyclo[2.2.1]hept-2-ene

(4S)-7-methylbicyclo[2.2.1]hept-2-ene (PubChem CID 143323028) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is (4S)-7-methylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(4S)-7-methylbicyclo[2.2.1]hept-2-ene
PubChem CID143323028
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name(4S)-7-methylbicyclo[2.2.1]hept-2-ene
SMILESCC1C2C=C[C@@H]1CC2
InChIInChI=1S/C8H12/c1-6-7-2-3-8(6)5-4-7/h2-3,6-8H,4-5H2,1H3/t6?,7-,8?/m1/s1
InChIKeyAVFRNNALLLVPGJ-ZUEIMRROSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-7-methylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of (4S)-7-methylbicyclo[2.2.1]hept-2-ene (CID 143323028) is (4S)-7-methylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (4S)-7-methylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (4S)-7-methylbicyclo[2.2.1]hept-2-ene is CC1C2C=C[C@@H]1CC2.
What is the InChIKey of (4S)-7-methylbicyclo[2.2.1]hept-2-ene?
The InChIKey is AVFRNNALLLVPGJ-ZUEIMRROSA-N. The full InChI is InChI=1S/C8H12/c1-6-7-2-3-8(6)5-4-7/h2-3,6-8H,4-5H2,1H3/t6?,7-,8?/m1/s1.
What are the key properties of (4S)-7-methylbicyclo[2.2.1]hept-2-ene?
(4S)-7-methylbicyclo[2.2.1]hept-2-ene has a molecular weight of 108.18 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-methylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 143323028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).