2-[(Z)-but-1-enyl]-3-ethenyl-1,7-dimethyl-6,7-dihydro-5H-cyclohepta[b]pyrrole

C17H23N — CID 142373876

IUPAC2-[(Z)-but-1-enyl]-3-ethenyl-1,7-dimethyl-6,7-dihydro-5H-cyclohepta[b]pyrrole
SMILESC=Cc1c(/C=C\CC)n(C)c2c1=CCCC(C)C=2
InChIInChI=1S/C17H23N/c1-5-7-11-16-14(6-2)15-10-8-9-13(3)12-17(15)18(16)4/h6-7,10-13H,2,5,8-9H2,1,3-4H3/b11-7-
InChIKeyXYYOXOSNORBAFB-XFFZJAGNSA-N
MW241.38 g/mol
LogP3.08
Rot. Bonds3

About 2-[(Z)-but-1-enyl]-3-ethenyl-1,7-dimethyl-6,7-dihydro-5H-cyclohepta[b]pyrrole

2-[(Z)-but-1-enyl]-3-ethenyl-1,7-dimethyl-6,7-dihydro-5H-cyclohepta[b]pyrrole (PubChem CID 142373876) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]-3-ethenyl-1,7-dimethyl-6,7-dihydro-5H-cyclohepta[b]pyrrole.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]-3-ethenyl-1,7-dimethyl-6,7-dihydro-5H-cyclohepta[b]pyrrole
PubChem CID142373876
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name2-[(Z)-but-1-enyl]-3-ethenyl-1,7-dimethyl-6,7-dihydro-5H-cyclohepta[b]pyrrole
SMILESC=Cc1c(/C=C\CC)n(C)c2c1=CCCC(C)C=2
InChIInChI=1S/C17H23N/c1-5-7-11-16-14(6-2)15-10-8-9-13(3)12-17(15)18(16)4/h6-7,10-13H,2,5,8-9H2,1,3-4H3/b11-7-
InChIKeyXYYOXOSNORBAFB-XFFZJAGNSA-N
XLogP3.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(Z)-but-1-enyl]-3-ethenyl-1,7-dimethyl-6,7-dihydro-5H-cyclohepta[b]pyrrole 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 2-[(Z)-but-1-enyl]-3-ethenyl-1,7-dimethyl-6,7-dihydro-5H-cyclohepta[b]pyrrole?
The IUPAC name of 2-[(Z)-but-1-enyl]-3-ethenyl-1,7-dimethyl-6,7-dihydro-5H-cyclohepta[b]pyrrole (CID 142373876) is 2-[(Z)-but-1-enyl]-3-ethenyl-1,7-dimethyl-6,7-dihydro-5H-cyclohepta[b]pyrrole.
What is the SMILES notation for 2-[(Z)-but-1-enyl]-3-ethenyl-1,7-dimethyl-6,7-dihydro-5H-cyclohepta[b]pyrrole?
The canonical SMILES for 2-[(Z)-but-1-enyl]-3-ethenyl-1,7-dimethyl-6,7-dihydro-5H-cyclohepta[b]pyrrole is C=Cc1c(/C=C\CC)n(C)c2c1=CCCC(C)C=2.
What is the InChIKey of 2-[(Z)-but-1-enyl]-3-ethenyl-1,7-dimethyl-6,7-dihydro-5H-cyclohepta[b]pyrrole?
The InChIKey is XYYOXOSNORBAFB-XFFZJAGNSA-N. The full InChI is InChI=1S/C17H23N/c1-5-7-11-16-14(6-2)15-10-8-9-13(3)12-17(15)18(16)4/h6-7,10-13H,2,5,8-9H2,1,3-4H3/b11-7-.
What are the key properties of 2-[(Z)-but-1-enyl]-3-ethenyl-1,7-dimethyl-6,7-dihydro-5H-cyclohepta[b]pyrrole?
2-[(Z)-but-1-enyl]-3-ethenyl-1,7-dimethyl-6,7-dihydro-5H-cyclohepta[b]pyrrole has a molecular weight of 241.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]-3-ethenyl-1,7-dimethyl-6,7-dihydro-5H-cyclohepta[b]pyrrole is sourced from PubChem (CID 142373876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).