1-benzyl-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane

C17H22 — CID 166504835

IUPAC1-benzyl-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane
SMILESC=C1CC2CCC1(Cc1ccccc1)C2(C)C
InChIInChI=1S/C17H22/c1-13-11-15-9-10-17(13,16(15,2)3)12-14-7-5-4-6-8-14/h4-8,15H,1,9-12H2,2-3H3
InChIKeyUEHSJPBXNLRBCY-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.61
Rot. Bonds2

About 1-benzyl-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane

1-benzyl-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane (PubChem CID 166504835) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-benzyl-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-benzyl-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane
PubChem CID166504835
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1-benzyl-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane
SMILESC=C1CC2CCC1(Cc1ccccc1)C2(C)C
InChIInChI=1S/C17H22/c1-13-11-15-9-10-17(13,16(15,2)3)12-14-7-5-4-6-8-14/h4-8,15H,1,9-12H2,2-3H3
InChIKeyUEHSJPBXNLRBCY-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-benzyl-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

Related Compounds

[(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol
CID 10244209
1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-methyl-N-phenylmethanesulfonamide
CID 6546468
7,7-dimethyl-1-(phenoxymethyl)bicyclo[2.2.1]heptan-2-one
CID 174371835
(1S,4R)-7,7-dimethyl-1-(phenylselanylmethyl)bicyclo[2.2.1]heptan-2-one
CID 11404028
(benzyl-ethyl-methyl-λ4-sulfanyl) (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
CID 139974945
N-benzyl-N-but-3-enyl-1-[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 174305040
(1R)-1,7,7-trimethyl-2-methylidenebicyclo[2.2.1]heptane
CID 162213995
[(1S,2S)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475476
[(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475475
(benzyl-methyl-phenyl-λ4-sulfanyl) (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
CID 139974889
[(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene
CID 102577141
1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(2S)-2-hydroxy-3-phenylpropyl]methanesulfonamide
CID 100834467

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane?
The IUPAC name of 1-benzyl-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane (CID 166504835) is 1-benzyl-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for 1-benzyl-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane?
The canonical SMILES for 1-benzyl-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane is C=C1CC2CCC1(Cc1ccccc1)C2(C)C.
What is the InChIKey of 1-benzyl-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane?
The InChIKey is UEHSJPBXNLRBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22/c1-13-11-15-9-10-17(13,16(15,2)3)12-14-7-5-4-6-8-14/h4-8,15H,1,9-12H2,2-3H3.
What are the key properties of 1-benzyl-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane?
1-benzyl-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane has a molecular weight of 226.36 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 166504835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).