1-buta-2,3-dienylpyrrolidine

C8H13N — CID 57191198

IUPAC1-buta-2,3-dienylpyrrolidine
SMILESC=C=CCN1CCCC1
InChIInChI=1S/C8H13N/c1-2-3-6-9-7-4-5-8-9/h3H,1,4-8H2
InChIKeyQOTFRNYYINKCAZ-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.42
Rot. Bonds2

About 1-buta-2,3-dienylpyrrolidine

1-buta-2,3-dienylpyrrolidine (PubChem CID 57191198) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1-buta-2,3-dienylpyrrolidine.

Molecular Properties

Compound Name1-buta-2,3-dienylpyrrolidine
PubChem CID57191198
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1-buta-2,3-dienylpyrrolidine
SMILESC=C=CCN1CCCC1
InChIInChI=1S/C8H13N/c1-2-3-6-9-7-4-5-8-9/h3H,1,4-8H2
InChIKeyQOTFRNYYINKCAZ-UHFFFAOYSA-N
XLogP1.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrolidine, 1-(2-propenyl)-
CID 558434
Crotylpyrrolidine
CID 558582
N,N-diallylpyrrolidinium bromide
CID 15812374
1-But-2-enylpyrrolidine
CID 5367873
1,1-Bis(prop-2-enyl)pyrrolidin-1-ium chloride
CID 21946570
1-Penta-2,3-dienylpyrrolidine
CID 134983319
1-(2-Methylbuta-2,3-dienyl)pyrrolidine
CID 134995224
1-(2-Methylpenta-2,3-dienyl)pyrrolidine
CID 134995262
Lithium 1-prop-2-enylpyrrolidin-5-ide
CID 135048603
Pyrrolidine, 1-(1-buten-3-ynyl)-
CID 140521
1-Methyl-1-prop-2-enylpyrrolidin-1-ium
CID 14693168
1,1-Bis(prop-2-enyl)pyrrolidin-1-ium
CID 15812375

Frequently Asked Questions

What is the IUPAC name of 1-buta-2,3-dienylpyrrolidine?
The IUPAC name of 1-buta-2,3-dienylpyrrolidine (CID 57191198) is 1-buta-2,3-dienylpyrrolidine.
What is the SMILES notation for 1-buta-2,3-dienylpyrrolidine?
The canonical SMILES for 1-buta-2,3-dienylpyrrolidine is C=C=CCN1CCCC1.
What is the InChIKey of 1-buta-2,3-dienylpyrrolidine?
The InChIKey is QOTFRNYYINKCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-3-6-9-7-4-5-8-9/h3H,1,4-8H2.
What are the key properties of 1-buta-2,3-dienylpyrrolidine?
1-buta-2,3-dienylpyrrolidine has a molecular weight of 123.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-2,3-dienylpyrrolidine is sourced from PubChem (CID 57191198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).