3-pentyl-4-prop-2-enylpyrrolidine

C12H23N — CID 67925914

IUPAC3-pentyl-4-prop-2-enylpyrrolidine
SMILESC=CCC1CNCC1CCCCC
InChIInChI=1S/C12H23N/c1-3-5-6-8-12-10-13-9-11(12)7-4-2/h4,11-13H,2-3,5-10H2,1H3
InChIKeyZLWMQYBBCOYQCA-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.98
Rot. Bonds6

About 3-pentyl-4-prop-2-enylpyrrolidine

3-pentyl-4-prop-2-enylpyrrolidine (PubChem CID 67925914) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-pentyl-4-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name3-pentyl-4-prop-2-enylpyrrolidine
PubChem CID67925914
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-pentyl-4-prop-2-enylpyrrolidine
SMILESC=CCC1CNCC1CCCCC
InChIInChI=1S/C12H23N/c1-3-5-6-8-12-10-13-9-11(12)7-4-2/h4,11-13H,2-3,5-10H2,1H3
InChIKeyZLWMQYBBCOYQCA-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pentyl-4-prop-2-enylpyrrolidine?
The IUPAC name of 3-pentyl-4-prop-2-enylpyrrolidine (CID 67925914) is 3-pentyl-4-prop-2-enylpyrrolidine.
What is the SMILES notation for 3-pentyl-4-prop-2-enylpyrrolidine?
The canonical SMILES for 3-pentyl-4-prop-2-enylpyrrolidine is C=CCC1CNCC1CCCCC.
What is the InChIKey of 3-pentyl-4-prop-2-enylpyrrolidine?
The InChIKey is ZLWMQYBBCOYQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-5-6-8-12-10-13-9-11(12)7-4-2/h4,11-13H,2-3,5-10H2,1H3.
What are the key properties of 3-pentyl-4-prop-2-enylpyrrolidine?
3-pentyl-4-prop-2-enylpyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-4-prop-2-enylpyrrolidine is sourced from PubChem (CID 67925914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).