3-ethenylidene-1-ethyl-2-methylidene-4-propa-1,2-dienylidenepyrrolidine

C12H13N — CID 58122919

IUPAC3-ethenylidene-1-ethyl-2-methylidene-4-propa-1,2-dienylidenepyrrolidine
SMILESC=C=C=C1CN(CC)C(=C)C1=C=C
InChIInChI=1S/C12H13N/c1-5-8-11-9-13(7-3)10(4)12(11)6-2/h1-2,4,7,9H2,3H3
InChIKeyDGJOFDMRSHXNKM-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.41
Rot. Bonds1

About 3-ethenylidene-1-ethyl-2-methylidene-4-propa-1,2-dienylidenepyrrolidine

3-ethenylidene-1-ethyl-2-methylidene-4-propa-1,2-dienylidenepyrrolidine (PubChem CID 58122919) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-ethenylidene-1-ethyl-2-methylidene-4-propa-1,2-dienylidenepyrrolidine.

Molecular Properties

Compound Name3-ethenylidene-1-ethyl-2-methylidene-4-propa-1,2-dienylidenepyrrolidine
PubChem CID58122919
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name3-ethenylidene-1-ethyl-2-methylidene-4-propa-1,2-dienylidenepyrrolidine
SMILESC=C=C=C1CN(CC)C(=C)C1=C=C
InChIInChI=1S/C12H13N/c1-5-8-11-9-13(7-3)10(4)12(11)6-2/h1-2,4,7,9H2,3H3
InChIKeyDGJOFDMRSHXNKM-UHFFFAOYSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-Dimethylbut-1-en-2-yl)pyrrolidine
CID 15569629
1-Pent-1-en-2-ylpyrrolidine
CID 10986309
3,4-Dimethylidene-1-propan-2-ylpyrrolidine
CID 12607506
2-Methylidene-1-propan-2-ylpyrrolidine
CID 18714689
1,2,3,4,5-Pentamethylidenepyrrolidin-1-ium
CID 18759385
1,3,4-trimethyl-5-methylidene-2H-pyrrole
CID 20695483
(3Z)-3-butan-2-ylidene-1-ethyl-2,5-dimethylidenepyrrolidine
CID 20723072
1,2,3,4-Tetramethylidenepyrrolidin-1-ium
CID 22044318
1-Butyl-2-methylidenepyrrolidine
CID 57674685
1-Methyl-2,4-dimethylidenepyrrolidine
CID 57691972
1,3,3-Trimethyl-2-methylidenepyrrolidine
CID 57785985
2-Methylidene-1-propylpyrrolidine
CID 58479026

Frequently Asked Questions

What is the IUPAC name of 3-ethenylidene-1-ethyl-2-methylidene-4-propa-1,2-dienylidenepyrrolidine?
The IUPAC name of 3-ethenylidene-1-ethyl-2-methylidene-4-propa-1,2-dienylidenepyrrolidine (CID 58122919) is 3-ethenylidene-1-ethyl-2-methylidene-4-propa-1,2-dienylidenepyrrolidine.
What is the SMILES notation for 3-ethenylidene-1-ethyl-2-methylidene-4-propa-1,2-dienylidenepyrrolidine?
The canonical SMILES for 3-ethenylidene-1-ethyl-2-methylidene-4-propa-1,2-dienylidenepyrrolidine is C=C=C=C1CN(CC)C(=C)C1=C=C.
What is the InChIKey of 3-ethenylidene-1-ethyl-2-methylidene-4-propa-1,2-dienylidenepyrrolidine?
The InChIKey is DGJOFDMRSHXNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-5-8-11-9-13(7-3)10(4)12(11)6-2/h1-2,4,7,9H2,3H3.
What are the key properties of 3-ethenylidene-1-ethyl-2-methylidene-4-propa-1,2-dienylidenepyrrolidine?
3-ethenylidene-1-ethyl-2-methylidene-4-propa-1,2-dienylidenepyrrolidine has a molecular weight of 171.24 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylidene-1-ethyl-2-methylidene-4-propa-1,2-dienylidenepyrrolidine is sourced from PubChem (CID 58122919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).