2-hex-1-enyl-5-nonylpyrrolidine

C19H37N — CID 57202270

IUPAC2-hex-1-enyl-5-nonylpyrrolidine
SMILESCCCCC=CC1CCC(CCCCCCCCC)N1
InChIInChI=1S/C19H37N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h12,14,18-20H,3-11,13,15-17H2,1-2H3
InChIKeyTUCMIILWXIWYHM-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.99
Rot. Bonds12

About 2-hex-1-enyl-5-nonylpyrrolidine

2-hex-1-enyl-5-nonylpyrrolidine (PubChem CID 57202270) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 2-hex-1-enyl-5-nonylpyrrolidine.

Molecular Properties

Compound Name2-hex-1-enyl-5-nonylpyrrolidine
PubChem CID57202270
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name2-hex-1-enyl-5-nonylpyrrolidine
SMILESCCCCC=CC1CCC(CCCCCCCCC)N1
InChIInChI=1S/C19H37N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h12,14,18-20H,3-11,13,15-17H2,1-2H3
InChIKeyTUCMIILWXIWYHM-UHFFFAOYSA-N
XLogP5.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.99
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 2-hex-1-enyl-5-nonylpyrrolidine?
The IUPAC name of 2-hex-1-enyl-5-nonylpyrrolidine (CID 57202270) is 2-hex-1-enyl-5-nonylpyrrolidine.
What is the SMILES notation for 2-hex-1-enyl-5-nonylpyrrolidine?
The canonical SMILES for 2-hex-1-enyl-5-nonylpyrrolidine is CCCCC=CC1CCC(CCCCCCCCC)N1.
What is the InChIKey of 2-hex-1-enyl-5-nonylpyrrolidine?
The InChIKey is TUCMIILWXIWYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h12,14,18-20H,3-11,13,15-17H2,1-2H3.
What are the key properties of 2-hex-1-enyl-5-nonylpyrrolidine?
2-hex-1-enyl-5-nonylpyrrolidine has a molecular weight of 279.51 g/mol, XLogP of 5.99, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-enyl-5-nonylpyrrolidine is sourced from PubChem (CID 57202270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).