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

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Related Compounds

N-[1-(4-ethyl-5-methylcyclohepta-1,3,6-trien-1-yl)ethenyl]-2-fluoro-N,2-dimethylpentan-3-amine
CID 156543753
(6E,8E)-7-fluoro-3-methyl-12-methylidene-1-azabicyclo[7.2.1]dodeca-6,8,10-triene
CID 173936637
N,N-dimethyl-6-(4-methylpentan-2-ylidene)cyclohexa-1,3-dien-1-amine
CID 66765744
1,4-dimethyl-2,3-bis(prop-1-enyl)-7,8-dihydro-4H-quinoline
CID 91046430
1-(4-Ethylcyclohepta-1,4,6-trien-1-yl)-3-methylpyrrolidine
CID 91491975
2,11-Dimethyl-2,6,7,10-tetrahydrocyclohepta[a]quinolizine
CID 123187782
1-Butyl-4-ethyl-2-ethylidene-3,3-dimethyl-5-prop-1-enylpyrrole
CID 123191903
5-But-1-enyl-3-ethenyl-4-methyl-1-(3-methylbutan-2-yl)-2-prop-1-enyl-2,3-dihydropyrrole
CID 123376044
3-But-2-enyl-1-hexa-1,3,5-trien-2-yl-2,5-dimethyl-4-prop-1-enyl-2,3-dihydropyrrole
CID 123671089
1-But-2-en-2-yl-2-methyl-3-prop-1-enyl-3a,7a-dihydroindole
CID 123708018
4-But-2-enylidene-3-ethyl-1,2-dimethyl-5-methylidenepyrrole
CID 123761790
8,12-Dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,9(14),10,12-pentaene
CID 123935174

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).