2-[(Z)-but-1-enyl]-1-propylpyrrolidine

C11H21N — CID 134981079

IUPAC2-[(Z)-but-1-enyl]-1-propylpyrrolidine
SMILESCC/C=C\C1CCCN1CCC
InChIInChI=1S/C11H21N/c1-3-5-7-11-8-6-10-12(11)9-4-2/h5,7,11H,3-4,6,8-10H2,1-2H3/b7-5-
InChIKeyNYOWLYVWNRVSQD-ALCCZGGFSA-N
MW167.30 g/mol
LogP2.83
Rot. Bonds4

About 2-[(Z)-but-1-enyl]-1-propylpyrrolidine

2-[(Z)-but-1-enyl]-1-propylpyrrolidine (PubChem CID 134981079) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]-1-propylpyrrolidine.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]-1-propylpyrrolidine
PubChem CID134981079
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-[(Z)-but-1-enyl]-1-propylpyrrolidine
SMILESCC/C=C\C1CCCN1CCC
InChIInChI=1S/C11H21N/c1-3-5-7-11-8-6-10-12(11)9-4-2/h5,7,11H,3-4,6,8-10H2,1-2H3/b7-5-
InChIKeyNYOWLYVWNRVSQD-ALCCZGGFSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-1-enyl]-1-propylpyrrolidine?
The IUPAC name of 2-[(Z)-but-1-enyl]-1-propylpyrrolidine (CID 134981079) is 2-[(Z)-but-1-enyl]-1-propylpyrrolidine.
What is the SMILES notation for 2-[(Z)-but-1-enyl]-1-propylpyrrolidine?
The canonical SMILES for 2-[(Z)-but-1-enyl]-1-propylpyrrolidine is CC/C=C\C1CCCN1CCC.
What is the InChIKey of 2-[(Z)-but-1-enyl]-1-propylpyrrolidine?
The InChIKey is NYOWLYVWNRVSQD-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H21N/c1-3-5-7-11-8-6-10-12(11)9-4-2/h5,7,11H,3-4,6,8-10H2,1-2H3/b7-5-.
What are the key properties of 2-[(Z)-but-1-enyl]-1-propylpyrrolidine?
2-[(Z)-but-1-enyl]-1-propylpyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]-1-propylpyrrolidine is sourced from PubChem (CID 134981079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).