2-non-6-en-4-yl-2-propylpyrrole

C16H27N — CID 56981173

IUPAC2-non-6-en-4-yl-2-propylpyrrole
SMILESCCC=CCC(CCC)C1(CCC)C=CC=N1
InChIInChI=1S/C16H27N/c1-4-7-8-11-15(10-5-2)16(12-6-3)13-9-14-17-16/h7-9,13-15H,4-6,10-12H2,1-3H3
InChIKeyCTFWQDDMKVOCPC-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.94
Rot. Bonds8

About 2-non-6-en-4-yl-2-propylpyrrole

2-non-6-en-4-yl-2-propylpyrrole (PubChem CID 56981173) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-non-6-en-4-yl-2-propylpyrrole.

Molecular Properties

Compound Name2-non-6-en-4-yl-2-propylpyrrole
PubChem CID56981173
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-non-6-en-4-yl-2-propylpyrrole
SMILESCCC=CCC(CCC)C1(CCC)C=CC=N1
InChIInChI=1S/C16H27N/c1-4-7-8-11-15(10-5-2)16(12-6-3)13-9-14-17-16/h7-9,13-15H,4-6,10-12H2,1-3H3
InChIKeyCTFWQDDMKVOCPC-UHFFFAOYSA-N
XLogP4.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexanespiropyrrole
CID 129871589
But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
2,11-Di(hexan-3-yl)-1-azacyclododeca-4,8,12-triene
CID 56981493
6-(2-Hexylpyrrol-2-yl)hexan-1-amine
CID 57022325
2-(3-Ethyl-7-methyloctan-4-yl)-2-propylpyrrole
CID 57023728
N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine
CID 57035322
11-Butyl-2-cyclopentyl-1-azacyclododeca-4,8,12-triene
CID 57061422
2-Butyl-2-(2,8-dimethylnonan-5-yl)pyrrole
CID 57119908
2-(2,8-Dimethylnonan-5-yl)-2-ethylpyrrole
CID 57120345
2-(2,8-Dimethylnonan-5-yl)-2-pentylpyrrole
CID 57136239
2-Propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole
CID 57138741
2-Propyl-2-(2,2,8-trimethylnonan-5-yl)pyrrole
CID 57147046

Frequently Asked Questions

What is the IUPAC name of 2-non-6-en-4-yl-2-propylpyrrole?
The IUPAC name of 2-non-6-en-4-yl-2-propylpyrrole (CID 56981173) is 2-non-6-en-4-yl-2-propylpyrrole.
What is the SMILES notation for 2-non-6-en-4-yl-2-propylpyrrole?
The canonical SMILES for 2-non-6-en-4-yl-2-propylpyrrole is CCC=CCC(CCC)C1(CCC)C=CC=N1.
What is the InChIKey of 2-non-6-en-4-yl-2-propylpyrrole?
The InChIKey is CTFWQDDMKVOCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-7-8-11-15(10-5-2)16(12-6-3)13-9-14-17-16/h7-9,13-15H,4-6,10-12H2,1-3H3.
What are the key properties of 2-non-6-en-4-yl-2-propylpyrrole?
2-non-6-en-4-yl-2-propylpyrrole has a molecular weight of 233.40 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-non-6-en-4-yl-2-propylpyrrole is sourced from PubChem (CID 56981173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).