(2S,5R)-2,5-dimethylbicyclo[4.1.0]hept-3-ene

C9H14 — CID 134980109

IUPAC(2S,5R)-2,5-dimethylbicyclo[4.1.0]hept-3-ene
SMILESC[C@@H]1C=C[C@H](C)C2CC21
InChIInChI=1S/C9H14/c1-6-3-4-7(2)9-5-8(6)9/h3-4,6-9H,5H2,1-2H3/t6-,7+,8?,9?
InChIKeyMBTGHFWHQKBGRF-QPIHLSAKSA-N
MW122.21 g/mol
LogP2.46
Rot. Bonds

About (2S,5R)-2,5-dimethylbicyclo[4.1.0]hept-3-ene

(2S,5R)-2,5-dimethylbicyclo[4.1.0]hept-3-ene (PubChem CID 134980109) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethylbicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethylbicyclo[4.1.0]hept-3-ene
PubChem CID134980109
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(2S,5R)-2,5-dimethylbicyclo[4.1.0]hept-3-ene
SMILESC[C@@H]1C=C[C@H](C)C2CC21
InChIInChI=1S/C9H14/c1-6-3-4-7(2)9-5-8(6)9/h3-4,6-9H,5H2,1-2H3/t6-,7+,8?,9?
InChIKeyMBTGHFWHQKBGRF-QPIHLSAKSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2S,5R)-2,5-dimethylbicyclo[4.1.0]hept-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,3aR,4S,6aR)-1,2,4-trimethyl-1,2,3,3a,4,6a-hexahydropentalene
CID 162412469
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
7-methyltricyclo[3.3.0.02,4]octane
CID 154523020
(1S,2S,4R,5R)-2,4-dimethylbicyclo[3.1.0]hexane
CID 172607830
(5S)-2,4-dimethylbicyclo[3.1.0]hexane
CID 142062990
(2R,3S,4R)-2,3,5-trimethylbicyclo[2.1.1]hexane
CID 163604694
1-methyl-2-[2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropane
CID 123559883
4-(2,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane
CID 91129502
(3aS,7aR)-N,7-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine
CID 54302636
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
3,6-dimethylcyclohex-4-ene-1,2-diol
CID 57145971
6-ethyl-3,4-dimethylcyclohexene
CID 123723236

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dimethylbicyclo[4.1.0]hept-3-ene?
The IUPAC name of (2S,5R)-2,5-dimethylbicyclo[4.1.0]hept-3-ene (CID 134980109) is (2S,5R)-2,5-dimethylbicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for (2S,5R)-2,5-dimethylbicyclo[4.1.0]hept-3-ene?
The canonical SMILES for (2S,5R)-2,5-dimethylbicyclo[4.1.0]hept-3-ene is C[C@@H]1C=C[C@H](C)C2CC21.
What is the InChIKey of (2S,5R)-2,5-dimethylbicyclo[4.1.0]hept-3-ene?
The InChIKey is MBTGHFWHQKBGRF-QPIHLSAKSA-N. The full InChI is InChI=1S/C9H14/c1-6-3-4-7(2)9-5-8(6)9/h3-4,6-9H,5H2,1-2H3/t6-,7+,8?,9?.
What are the key properties of (2S,5R)-2,5-dimethylbicyclo[4.1.0]hept-3-ene?
(2S,5R)-2,5-dimethylbicyclo[4.1.0]hept-3-ene has a molecular weight of 122.21 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dimethylbicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 134980109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).