1-ethenyl-2-prop-1-en-2-ylpyrrolidine

C9H15N — CID 155697098

IUPAC1-ethenyl-2-prop-1-en-2-ylpyrrolidine
SMILESC=CN1CCCC1C(=C)C
InChIInChI=1S/C9H15N/c1-4-10-7-5-6-9(10)8(2)3/h4,9H,1-2,5-7H2,3H3
InChIKeyVDQODFOMWVQPHB-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.17
Rot. Bonds2

About 1-ethenyl-2-prop-1-en-2-ylpyrrolidine

1-ethenyl-2-prop-1-en-2-ylpyrrolidine (PubChem CID 155697098) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-ethenyl-2-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name1-ethenyl-2-prop-1-en-2-ylpyrrolidine
PubChem CID155697098
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-ethenyl-2-prop-1-en-2-ylpyrrolidine
SMILESC=CN1CCCC1C(=C)C
InChIInChI=1S/C9H15N/c1-4-10-7-5-6-9(10)8(2)3/h4,9H,1-2,5-7H2,3H3
InChIKeyVDQODFOMWVQPHB-UHFFFAOYSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-ethenylpyrrolidine-2-carboxamide
CID 142882543
methyl 1-ethenylpyrrolidine-2-carboxylate
CID 144567837
(2R)-1-methyl-2-prop-1-en-2-ylpyrrolidine
CID 89224311
bis(1-ethenylpiperidin-2-yl)methanone
CID 174822016
N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine
CID 142013187
1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine
CID 67564463
methyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate
CID 140991518
2-tert-butyl-1-ethenylpyrrolidine
CID 126620960
1-ethenylpiperidin-2-ol
CID 139721082
3-N-[2-(azetidin-1-yl)ethyl]-1-N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]-2-N-methylbut-3-ene-1,2,3-triamine
CID 170028201
1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 102330307
1-[(2S)-2-acetylpyrrolidin-1-yl]prop-2-en-1-one
CID 176716114

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-prop-1-en-2-ylpyrrolidine?
The IUPAC name of 1-ethenyl-2-prop-1-en-2-ylpyrrolidine (CID 155697098) is 1-ethenyl-2-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for 1-ethenyl-2-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for 1-ethenyl-2-prop-1-en-2-ylpyrrolidine is C=CN1CCCC1C(=C)C.
What is the InChIKey of 1-ethenyl-2-prop-1-en-2-ylpyrrolidine?
The InChIKey is VDQODFOMWVQPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-10-7-5-6-9(10)8(2)3/h4,9H,1-2,5-7H2,3H3.
What are the key properties of 1-ethenyl-2-prop-1-en-2-ylpyrrolidine?
1-ethenyl-2-prop-1-en-2-ylpyrrolidine has a molecular weight of 137.23 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 155697098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).