(1R,4S)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane

C10H16 — CID 10887972

IUPAC(1R,4S)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C[C@@H]2CC[C@H]1C2(C)C
InChIInChI=1S/C10H16/c1-7-6-8-4-5-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1
InChIKeyXCPQUQHBVVXMRQ-DTWKUNHWSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds

About (1R,4S)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane

(1R,4S)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane (PubChem CID 10887972) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (1R,4S)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4S)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane
PubChem CID10887972
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(1R,4S)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C[C@@H]2CC[C@H]1C2(C)C
InChIInChI=1S/C10H16/c1-7-6-8-4-5-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1
InChIKeyXCPQUQHBVVXMRQ-DTWKUNHWSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,4S)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]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 (1R,4S)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane?
The IUPAC name of (1R,4S)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane (CID 10887972) is (1R,4S)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4S)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4S)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane is C=C1C[C@@H]2CC[C@H]1C2(C)C.
What is the InChIKey of (1R,4S)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane?
The InChIKey is XCPQUQHBVVXMRQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H16/c1-7-6-8-4-5-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1.
What are the key properties of (1R,4S)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane?
(1R,4S)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane has a molecular weight of 136.24 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 10887972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).