(1R,4S)-2,3-dimethylbicyclo[2.2.1]hept-2-ene

C9H14 — CID 11457687

IUPAC(1R,4S)-2,3-dimethylbicyclo[2.2.1]hept-2-ene
SMILESCC1=C(C)[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3/t8-,9+
InChIKeyLSIXBBPOJBJQHN-DTORHVGOSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds

About (1R,4S)-2,3-dimethylbicyclo[2.2.1]hept-2-ene

(1R,4S)-2,3-dimethylbicyclo[2.2.1]hept-2-ene (PubChem CID 11457687) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (1R,4S)-2,3-dimethylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1R,4S)-2,3-dimethylbicyclo[2.2.1]hept-2-ene
PubChem CID11457687
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(1R,4S)-2,3-dimethylbicyclo[2.2.1]hept-2-ene
SMILESCC1=C(C)[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3/t8-,9+
InChIKeyLSIXBBPOJBJQHN-DTORHVGOSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Santene
CID 10720
2-Methyl-2-norbornene
CID 136510
epsilon-Fenchene
CID 6452384
1,2,3-Trimethylcyclohex-1-ene
CID 12537123
Cyclopentene, 1,3-dimethyl-2-(1-methylethyl)-
CID 579282
Bicyclo(2.2.1)hept-2-ene, 6-ethenyl-2-methyl-
CID 105987
endo-5-Isopropenyl-2-norbornene
CID 6427479
exo-5-Isopropenyl-2-norbornene
CID 6427484
(1S,4R)-2-methylbicyclo[2.2.1]hept-2-ene
CID 11126197
Bicyclo[2.2.1]hept-2-ene, 5-(1-methylethenyl)-
CID 524207
7-Isopropylidenenorbornane
CID 11073488
2-(Propan-2-ylidene)bicyclo[2.2.1]heptane
CID 12648921

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2,3-dimethylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1R,4S)-2,3-dimethylbicyclo[2.2.1]hept-2-ene (CID 11457687) is (1R,4S)-2,3-dimethylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1R,4S)-2,3-dimethylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1R,4S)-2,3-dimethylbicyclo[2.2.1]hept-2-ene is CC1=C(C)[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,4S)-2,3-dimethylbicyclo[2.2.1]hept-2-ene?
The InChIKey is LSIXBBPOJBJQHN-DTORHVGOSA-N. The full InChI is InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3/t8-,9+.
What are the key properties of (1R,4S)-2,3-dimethylbicyclo[2.2.1]hept-2-ene?
(1R,4S)-2,3-dimethylbicyclo[2.2.1]hept-2-ene has a molecular weight of 122.21 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2,3-dimethylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 11457687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).