5-hex-1-enyl-2-nonylidene-1,3-dihydropyrrole

C19H33N — CID 163192483

IUPAC5-hex-1-enyl-2-nonylidene-1,3-dihydropyrrole
SMILESCCCCC=CC1=CCC(=CCCCCCCCC)N1
InChIInChI=1S/C19H33N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h12,14-16,20H,3-11,13,17H2,1-2H3
InChIKeyZVKBWXPIQYZASX-UHFFFAOYSA-N
MW275.48 g/mol
LogP6.24
Rot. Bonds11

About 5-hex-1-enyl-2-nonylidene-1,3-dihydropyrrole

5-hex-1-enyl-2-nonylidene-1,3-dihydropyrrole (PubChem CID 163192483) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 5-hex-1-enyl-2-nonylidene-1,3-dihydropyrrole.

Molecular Properties

Compound Name5-hex-1-enyl-2-nonylidene-1,3-dihydropyrrole
PubChem CID163192483
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name5-hex-1-enyl-2-nonylidene-1,3-dihydropyrrole
SMILESCCCCC=CC1=CCC(=CCCCCCCCC)N1
InChIInChI=1S/C19H33N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h12,14-16,20H,3-11,13,17H2,1-2H3
InChIKeyZVKBWXPIQYZASX-UHFFFAOYSA-N
XLogP6.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hex-1-enyl-2-nonylidene-1,3-dihydropyrrole?
The IUPAC name of 5-hex-1-enyl-2-nonylidene-1,3-dihydropyrrole (CID 163192483) is 5-hex-1-enyl-2-nonylidene-1,3-dihydropyrrole.
What is the SMILES notation for 5-hex-1-enyl-2-nonylidene-1,3-dihydropyrrole?
The canonical SMILES for 5-hex-1-enyl-2-nonylidene-1,3-dihydropyrrole is CCCCC=CC1=CCC(=CCCCCCCCC)N1.
What is the InChIKey of 5-hex-1-enyl-2-nonylidene-1,3-dihydropyrrole?
The InChIKey is ZVKBWXPIQYZASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h12,14-16,20H,3-11,13,17H2,1-2H3.
What are the key properties of 5-hex-1-enyl-2-nonylidene-1,3-dihydropyrrole?
5-hex-1-enyl-2-nonylidene-1,3-dihydropyrrole has a molecular weight of 275.48 g/mol, XLogP of 6.24, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-1-enyl-2-nonylidene-1,3-dihydropyrrole is sourced from PubChem (CID 163192483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).