7,7-dimethyl-1-[(Z)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-one

C17H20O — CID 135289881

IUPAC7,7-dimethyl-1-[(Z)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C2CCC1(/C=C\c1ccccc1)C(=O)C2
InChIInChI=1S/C17H20O/c1-16(2)14-9-11-17(16,15(18)12-14)10-8-13-6-4-3-5-7-13/h3-8,10,14H,9,11-12H2,1-2H3/b10-8-
InChIKeyPWLUXFXMSLGXAP-NTMALXAHSA-N
MW240.35 g/mol
LogP4.10
Rot. Bonds2

About 7,7-dimethyl-1-[(Z)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-one

7,7-dimethyl-1-[(Z)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-one (PubChem CID 135289881) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 7,7-dimethyl-1-[(Z)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name7,7-dimethyl-1-[(Z)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-one
PubChem CID135289881
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name7,7-dimethyl-1-[(Z)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C2CCC1(/C=C\c1ccccc1)C(=O)C2
InChIInChI=1S/C17H20O/c1-16(2)14-9-11-17(16,15(18)12-14)10-8-13-6-4-3-5-7-13/h3-8,10,14H,9,11-12H2,1-2H3/b10-8-
InChIKeyPWLUXFXMSLGXAP-NTMALXAHSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7,7-dimethyl-1-[(Z)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-one 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 7,7-dimethyl-1-[(Z)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 7,7-dimethyl-1-[(Z)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-one (CID 135289881) is 7,7-dimethyl-1-[(Z)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 7,7-dimethyl-1-[(Z)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 7,7-dimethyl-1-[(Z)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-one is CC1(C)C2CCC1(/C=C\c1ccccc1)C(=O)C2.
What is the InChIKey of 7,7-dimethyl-1-[(Z)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-one?
The InChIKey is PWLUXFXMSLGXAP-NTMALXAHSA-N. The full InChI is InChI=1S/C17H20O/c1-16(2)14-9-11-17(16,15(18)12-14)10-8-13-6-4-3-5-7-13/h3-8,10,14H,9,11-12H2,1-2H3/b10-8-.
What are the key properties of 7,7-dimethyl-1-[(Z)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-one?
7,7-dimethyl-1-[(Z)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-one has a molecular weight of 240.35 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-[(Z)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 135289881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).