(1S)-3-methyl-4-methylidenebicyclo[4.1.0]heptane

C9H14 — CID 142048777

IUPAC(1S)-3-methyl-4-methylidenebicyclo[4.1.0]heptane
SMILESC=C1CC2C[C@H]2CC1C
InChIInChI=1S/C9H14/c1-6-3-8-5-9(8)4-7(6)2/h7-9H,1,3-5H2,2H3/t7?,8?,9-/m1/s1
InChIKeyRFHVEPAEBJMUCN-AMDVSUOASA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds

About (1S)-3-methyl-4-methylidenebicyclo[4.1.0]heptane

(1S)-3-methyl-4-methylidenebicyclo[4.1.0]heptane (PubChem CID 142048777) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (1S)-3-methyl-4-methylidenebicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S)-3-methyl-4-methylidenebicyclo[4.1.0]heptane
PubChem CID142048777
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(1S)-3-methyl-4-methylidenebicyclo[4.1.0]heptane
SMILESC=C1CC2C[C@H]2CC1C
InChIInChI=1S/C9H14/c1-6-3-8-5-9(8)4-7(6)2/h7-9H,1,3-5H2,2H3/t7?,8?,9-/m1/s1
InChIKeyRFHVEPAEBJMUCN-AMDVSUOASA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S)-3-methyl-4-methylidenebicyclo[4.1.0]heptane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-3-methyl-4-methylidenebicyclo[4.1.0]heptane?
The IUPAC name of (1S)-3-methyl-4-methylidenebicyclo[4.1.0]heptane (CID 142048777) is (1S)-3-methyl-4-methylidenebicyclo[4.1.0]heptane.
What is the SMILES notation for (1S)-3-methyl-4-methylidenebicyclo[4.1.0]heptane?
The canonical SMILES for (1S)-3-methyl-4-methylidenebicyclo[4.1.0]heptane is C=C1CC2C[C@H]2CC1C.
What is the InChIKey of (1S)-3-methyl-4-methylidenebicyclo[4.1.0]heptane?
The InChIKey is RFHVEPAEBJMUCN-AMDVSUOASA-N. The full InChI is InChI=1S/C9H14/c1-6-3-8-5-9(8)4-7(6)2/h7-9H,1,3-5H2,2H3/t7?,8?,9-/m1/s1.
What are the key properties of (1S)-3-methyl-4-methylidenebicyclo[4.1.0]heptane?
(1S)-3-methyl-4-methylidenebicyclo[4.1.0]heptane has a molecular weight of 122.21 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methyl-4-methylidenebicyclo[4.1.0]heptane is sourced from PubChem (CID 142048777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).