3-[(Z)-nonadec-10-enyl]pyrrolidine

C23H45N — CID 134388045

IUPAC3-[(Z)-nonadec-10-enyl]pyrrolidine
SMILESCCCCCCCC/C=C\CCCCCCCCCC1CCNC1
InChIInChI=1S/C23H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-21-24-22-23/h9-10,23-24H,2-8,11-22H2,1H3/b10-9-
InChIKeyJTGWNNOMHVNVQG-KTKRTIGZSA-N
MW335.62 g/mol
LogP7.41
Rot. Bonds17

About 3-[(Z)-nonadec-10-enyl]pyrrolidine

3-[(Z)-nonadec-10-enyl]pyrrolidine (PubChem CID 134388045) has the molecular formula C23H45N and a molecular weight of 335.62 g/mol. Its IUPAC name is 3-[(Z)-nonadec-10-enyl]pyrrolidine.

Molecular Properties

Compound Name3-[(Z)-nonadec-10-enyl]pyrrolidine
PubChem CID134388045
Molecular FormulaC23H45N
Molecular Weight335.62 g/mol
Exact Mass335.36
IUPAC Name3-[(Z)-nonadec-10-enyl]pyrrolidine
SMILESCCCCCCCC/C=C\CCCCCCCCCC1CCNC1
InChIInChI=1S/C23H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-21-24-22-23/h9-10,23-24H,2-8,11-22H2,1H3/b10-9-
InChIKeyJTGWNNOMHVNVQG-KTKRTIGZSA-N
XLogP7.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.62
LogP ≤ 57.41
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-[(Z)-nonadec-10-enyl]pyrrolidine?
The IUPAC name of 3-[(Z)-nonadec-10-enyl]pyrrolidine (CID 134388045) is 3-[(Z)-nonadec-10-enyl]pyrrolidine.
What is the SMILES notation for 3-[(Z)-nonadec-10-enyl]pyrrolidine?
The canonical SMILES for 3-[(Z)-nonadec-10-enyl]pyrrolidine is CCCCCCCC/C=C\CCCCCCCCCC1CCNC1.
What is the InChIKey of 3-[(Z)-nonadec-10-enyl]pyrrolidine?
The InChIKey is JTGWNNOMHVNVQG-KTKRTIGZSA-N. The full InChI is InChI=1S/C23H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-21-24-22-23/h9-10,23-24H,2-8,11-22H2,1H3/b10-9-.
What are the key properties of 3-[(Z)-nonadec-10-enyl]pyrrolidine?
3-[(Z)-nonadec-10-enyl]pyrrolidine has a molecular weight of 335.62 g/mol, XLogP of 7.41, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-nonadec-10-enyl]pyrrolidine is sourced from PubChem (CID 134388045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).