2-[(E)-pent-2-en-3-yl]pyrrolidine

C9H17N — CID 55299254

IUPAC2-[(E)-pent-2-en-3-yl]pyrrolidine
SMILESC/C=C(\CC)C1CCCN1
InChIInChI=1S/C9H17N/c1-3-8(4-2)9-6-5-7-10-9/h3,9-10H,4-7H2,1-2H3/b8-3+
InChIKeyQHBWDSVDALGMCF-FPYGCLRLSA-N
MW139.24 g/mol
LogP2.09
Rot. Bonds2

About 2-[(E)-pent-2-en-3-yl]pyrrolidine

2-[(E)-pent-2-en-3-yl]pyrrolidine (PubChem CID 55299254) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-[(E)-pent-2-en-3-yl]pyrrolidine.

Molecular Properties

Compound Name2-[(E)-pent-2-en-3-yl]pyrrolidine
PubChem CID55299254
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-[(E)-pent-2-en-3-yl]pyrrolidine
SMILESC/C=C(\CC)C1CCCN1
InChIInChI=1S/C9H17N/c1-3-8(4-2)9-6-5-7-10-9/h3,9-10H,4-7H2,1-2H3/b8-3+
InChIKeyQHBWDSVDALGMCF-FPYGCLRLSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-N-hydroxypyrrolidine-2-carboximidate
CID 101141601
1-pyrrolidin-2-ylbutan-1-one
CID 54066710
N-[(Z)-1-pyrrolidin-2-ylprop-1-enyl]methanimine
CID 142562226
propanethioyl (2S)-pyrrolidine-2-carboxylate
CID 88795719
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316
1-[(2S)-pyrrolidin-2-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 46863476
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
ethane;(2S)-2-prop-1-en-2-ylpyrrolidine
CID 142069631
[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
CID 57156307
1-O-ethyl 2-O-[(2S)-pyrrolidine-2-carbonyl] oxalate
CID 139434827
N-propylpyrrolidine-2-carboxamide
CID 4984185

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-pent-2-en-3-yl]pyrrolidine?
The IUPAC name of 2-[(E)-pent-2-en-3-yl]pyrrolidine (CID 55299254) is 2-[(E)-pent-2-en-3-yl]pyrrolidine.
What is the SMILES notation for 2-[(E)-pent-2-en-3-yl]pyrrolidine?
The canonical SMILES for 2-[(E)-pent-2-en-3-yl]pyrrolidine is C/C=C(\CC)C1CCCN1.
What is the InChIKey of 2-[(E)-pent-2-en-3-yl]pyrrolidine?
The InChIKey is QHBWDSVDALGMCF-FPYGCLRLSA-N. The full InChI is InChI=1S/C9H17N/c1-3-8(4-2)9-6-5-7-10-9/h3,9-10H,4-7H2,1-2H3/b8-3+.
What are the key properties of 2-[(E)-pent-2-en-3-yl]pyrrolidine?
2-[(E)-pent-2-en-3-yl]pyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pent-2-en-3-yl]pyrrolidine is sourced from PubChem (CID 55299254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).