1-[(Z)-hept-2-enyl]pyrrolidine

C11H21N — CID 129395358

IUPAC1-[(Z)-hept-2-enyl]pyrrolidine
SMILESCCCC/C=C\CN1CCCC1
InChIInChI=1S/C11H21N/c1-2-3-4-5-6-9-12-10-7-8-11-12/h5-6H,2-4,7-11H2,1H3/b6-5-
InChIKeyDNNOAJJASGHTIF-WAYWQWQTSA-N
MW167.30 g/mol
LogP2.83
Rot. Bonds5

About 1-[(Z)-hept-2-enyl]pyrrolidine

1-[(Z)-hept-2-enyl]pyrrolidine (PubChem CID 129395358) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-[(Z)-hept-2-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(Z)-hept-2-enyl]pyrrolidine
PubChem CID129395358
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-[(Z)-hept-2-enyl]pyrrolidine
SMILESCCCC/C=C\CN1CCCC1
InChIInChI=1S/C11H21N/c1-2-3-4-5-6-9-12-10-7-8-11-12/h5-6H,2-4,7-11H2,1H3/b6-5-
InChIKeyDNNOAJJASGHTIF-WAYWQWQTSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': '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 1-[(Z)-hept-2-enyl]pyrrolidine?
The IUPAC name of 1-[(Z)-hept-2-enyl]pyrrolidine (CID 129395358) is 1-[(Z)-hept-2-enyl]pyrrolidine.
What is the SMILES notation for 1-[(Z)-hept-2-enyl]pyrrolidine?
The canonical SMILES for 1-[(Z)-hept-2-enyl]pyrrolidine is CCCC/C=C\CN1CCCC1.
What is the InChIKey of 1-[(Z)-hept-2-enyl]pyrrolidine?
The InChIKey is DNNOAJJASGHTIF-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-4-5-6-9-12-10-7-8-11-12/h5-6H,2-4,7-11H2,1H3/b6-5-.
What are the key properties of 1-[(Z)-hept-2-enyl]pyrrolidine?
1-[(Z)-hept-2-enyl]pyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-hept-2-enyl]pyrrolidine is sourced from PubChem (CID 129395358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).