5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole

C11H19N — CID 134864048

IUPAC5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole
SMILESC=CCC(CCC)C1=NCCC1
InChIInChI=1S/C11H19N/c1-3-6-10(7-4-2)11-8-5-9-12-11/h3,10H,1,4-9H2,2H3
InChIKeyCHEZODFSNLNUIF-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds5

About 5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole

5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole (PubChem CID 134864048) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole
PubChem CID134864048
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole
SMILESC=CCC(CCC)C1=NCCC1
InChIInChI=1S/C11H19N/c1-3-6-10(7-4-2)11-8-5-9-12-11/h3,10H,1,4-9H2,2H3
InChIKeyCHEZODFSNLNUIF-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
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

5-Methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole
CID 90906145
3-Hexadecyl-5-methyl-4-methylidene-2,3-dihydropyrrole
CID 91530706
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
2H-Pyrrole, 5-(5-hexenyl)-3,4-dihydro-
CID 10012094
2H-Pyrrole, 5-(6-heptenyl)-3,4-dihydro-
CID 15105257
2H-Pyrrole, 3,4-dihydro-5-(8-nonenyl)-
CID 15105258
(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188
(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
CID 163028765
3,4-Dihydro-5-methyl-4-[(7Z)-pentadecenyl]-2H-pyrrole
CID 5369018
5-hex-5-enyl-2-pentyl-3,4-dihydro-2H-pyrrole
CID 20368617
6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine
CID 54204866

Frequently Asked Questions

What is the IUPAC name of 5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole (CID 134864048) is 5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole is C=CCC(CCC)C1=NCCC1.
What is the InChIKey of 5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole?
The InChIKey is CHEZODFSNLNUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-6-10(7-4-2)11-8-5-9-12-11/h3,10H,1,4-9H2,2H3.
What are the key properties of 5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole?
5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 134864048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).