1-penta-2,4-dienylpyrrolidine

C9H15N — CID 57130703

IUPAC1-penta-2,4-dienylpyrrolidine
SMILESC=CC=CCN1CCCC1
InChIInChI=1S/C9H15N/c1-2-3-4-7-10-8-5-6-9-10/h2-4H,1,5-9H2
InChIKeyNXPAMBOLCKHTGL-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.82
Rot. Bonds3

About 1-penta-2,4-dienylpyrrolidine

1-penta-2,4-dienylpyrrolidine (PubChem CID 57130703) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-penta-2,4-dienylpyrrolidine.

Molecular Properties

Compound Name1-penta-2,4-dienylpyrrolidine
PubChem CID57130703
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-penta-2,4-dienylpyrrolidine
SMILESC=CC=CCN1CCCC1
InChIInChI=1S/C9H15N/c1-2-3-4-7-10-8-5-6-9-10/h2-4H,1,5-9H2
InChIKeyNXPAMBOLCKHTGL-UHFFFAOYSA-N
XLogP1.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-penta-2,4-dienylpyrrolidine?
The IUPAC name of 1-penta-2,4-dienylpyrrolidine (CID 57130703) is 1-penta-2,4-dienylpyrrolidine.
What is the SMILES notation for 1-penta-2,4-dienylpyrrolidine?
The canonical SMILES for 1-penta-2,4-dienylpyrrolidine is C=CC=CCN1CCCC1.
What is the InChIKey of 1-penta-2,4-dienylpyrrolidine?
The InChIKey is NXPAMBOLCKHTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-4-7-10-8-5-6-9-10/h2-4H,1,5-9H2.
What are the key properties of 1-penta-2,4-dienylpyrrolidine?
1-penta-2,4-dienylpyrrolidine has a molecular weight of 137.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-2,4-dienylpyrrolidine is sourced from PubChem (CID 57130703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).