2,3-bis(but-3-en-2-yl)pyrrolidine

C12H21N — CID 21157860

IUPAC2,3-bis(but-3-en-2-yl)pyrrolidine
SMILESC=CC(C)C1CCNC1C(C)C=C
InChIInChI=1S/C12H21N/c1-5-9(3)11-7-8-13-12(11)10(4)6-2/h5-6,9-13H,1-2,7-8H2,3-4H3
InChIKeyVSWARZHCSMXJLC-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.61
Rot. Bonds4

About 2,3-bis(but-3-en-2-yl)pyrrolidine

2,3-bis(but-3-en-2-yl)pyrrolidine (PubChem CID 21157860) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2,3-bis(but-3-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name2,3-bis(but-3-en-2-yl)pyrrolidine
PubChem CID21157860
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2,3-bis(but-3-en-2-yl)pyrrolidine
SMILESC=CC(C)C1CCNC1C(C)C=C
InChIInChI=1S/C12H21N/c1-5-9(3)11-7-8-13-12(11)10(4)6-2/h5-6,9-13H,1-2,7-8H2,3-4H3
InChIKeyVSWARZHCSMXJLC-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.61
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

2,2-Diallylpyrrolidine
CID 573606
Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
6-methyl-N-prop-2-enylhept-1-en-4-amine
CID 134859993
2-Methyl-4,4-bis(prop-2-enyl)pyrrolidine
CID 73219360
(Z,2S,4R,5R)-7-fluoro-N,3,4,5-tetramethylhept-6-en-2-amine
CID 164044119
(3R)-3-(1-fluoropent-4-enyl)pyrrolidine
CID 170053195
(4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine
CID 176954846
(2S)-2-[(2R)-but-3-en-2-yl]pyrrolidine
CID 639456
3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 10081888
(2R,4S)-2,4-dimethyl-4-prop-2-enylpyrrolidine
CID 11194376
Pyrrolidine, 2,4-dimethyl-4-(2-propenyl)-
CID 11332783
(2S)-2,4-dimethyl-4-prop-2-enylpyrrolidine
CID 55299437

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(but-3-en-2-yl)pyrrolidine?
The IUPAC name of 2,3-bis(but-3-en-2-yl)pyrrolidine (CID 21157860) is 2,3-bis(but-3-en-2-yl)pyrrolidine.
What is the SMILES notation for 2,3-bis(but-3-en-2-yl)pyrrolidine?
The canonical SMILES for 2,3-bis(but-3-en-2-yl)pyrrolidine is C=CC(C)C1CCNC1C(C)C=C.
What is the InChIKey of 2,3-bis(but-3-en-2-yl)pyrrolidine?
The InChIKey is VSWARZHCSMXJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-5-9(3)11-7-8-13-12(11)10(4)6-2/h5-6,9-13H,1-2,7-8H2,3-4H3.
What are the key properties of 2,3-bis(but-3-en-2-yl)pyrrolidine?
2,3-bis(but-3-en-2-yl)pyrrolidine has a molecular weight of 179.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(but-3-en-2-yl)pyrrolidine is sourced from PubChem (CID 21157860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).