1-penta-2,3-dienylpyrrolidine

C9H15N — CID 134983319

IUPAC1-penta-2,3-dienylpyrrolidine
SMILESCC=C=CCN1CCCC1
InChIInChI=1S/C9H15N/c1-2-3-4-7-10-8-5-6-9-10/h2,4H,5-9H2,1H3
InChIKeySZZCPWAWSISOAV-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.81
Rot. Bonds2

About 1-penta-2,3-dienylpyrrolidine

1-penta-2,3-dienylpyrrolidine (PubChem CID 134983319) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-penta-2,3-dienylpyrrolidine.

Molecular Properties

Compound Name1-penta-2,3-dienylpyrrolidine
PubChem CID134983319
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-penta-2,3-dienylpyrrolidine
SMILESCC=C=CCN1CCCC1
InChIInChI=1S/C9H15N/c1-2-3-4-7-10-8-5-6-9-10/h2,4H,5-9H2,1H3
InChIKeySZZCPWAWSISOAV-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-penta-2,3-dienylpyrrolidine?
The IUPAC name of 1-penta-2,3-dienylpyrrolidine (CID 134983319) is 1-penta-2,3-dienylpyrrolidine.
What is the SMILES notation for 1-penta-2,3-dienylpyrrolidine?
The canonical SMILES for 1-penta-2,3-dienylpyrrolidine is CC=C=CCN1CCCC1.
What is the InChIKey of 1-penta-2,3-dienylpyrrolidine?
The InChIKey is SZZCPWAWSISOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-4-7-10-8-5-6-9-10/h2,4H,5-9H2,1H3.
What are the key properties of 1-penta-2,3-dienylpyrrolidine?
1-penta-2,3-dienylpyrrolidine has a molecular weight of 137.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-2,3-dienylpyrrolidine is sourced from PubChem (CID 134983319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).