1-penta-1,4-dien-2-yl-2-prop-2-enylpyrrolidine

C12H19N — CID 174727946

IUPAC1-penta-1,4-dien-2-yl-2-prop-2-enylpyrrolidine
SMILESC=CCC(=C)N1CCCC1CC=C
InChIInChI=1S/C12H19N/c1-4-7-11(3)13-10-6-9-12(13)8-5-2/h4-5,12H,1-3,6-10H2
InChIKeyYJDSRWJYBOWLKV-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.12
Rot. Bonds5

About 1-penta-1,4-dien-2-yl-2-prop-2-enylpyrrolidine

1-penta-1,4-dien-2-yl-2-prop-2-enylpyrrolidine (PubChem CID 174727946) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-penta-1,4-dien-2-yl-2-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name1-penta-1,4-dien-2-yl-2-prop-2-enylpyrrolidine
PubChem CID174727946
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-penta-1,4-dien-2-yl-2-prop-2-enylpyrrolidine
SMILESC=CCC(=C)N1CCCC1CC=C
InChIInChI=1S/C12H19N/c1-4-7-11(3)13-10-6-9-12(13)8-5-2/h4-5,12H,1-3,6-10H2
InChIKeyYJDSRWJYBOWLKV-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-penta-1,4-dien-2-yl-2-prop-2-enylpyrrolidine?
The IUPAC name of 1-penta-1,4-dien-2-yl-2-prop-2-enylpyrrolidine (CID 174727946) is 1-penta-1,4-dien-2-yl-2-prop-2-enylpyrrolidine.
What is the SMILES notation for 1-penta-1,4-dien-2-yl-2-prop-2-enylpyrrolidine?
The canonical SMILES for 1-penta-1,4-dien-2-yl-2-prop-2-enylpyrrolidine is C=CCC(=C)N1CCCC1CC=C.
What is the InChIKey of 1-penta-1,4-dien-2-yl-2-prop-2-enylpyrrolidine?
The InChIKey is YJDSRWJYBOWLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-7-11(3)13-10-6-9-12(13)8-5-2/h4-5,12H,1-3,6-10H2.
What are the key properties of 1-penta-1,4-dien-2-yl-2-prop-2-enylpyrrolidine?
1-penta-1,4-dien-2-yl-2-prop-2-enylpyrrolidine has a molecular weight of 177.29 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-1,4-dien-2-yl-2-prop-2-enylpyrrolidine is sourced from PubChem (CID 174727946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).