5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole

C11H19N — CID 71531028

IUPAC5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
SMILESCCCCC/C=C/C1=NCCC1
InChIInChI=1S/C11H19N/c1-2-3-4-5-6-8-11-9-7-10-12-11/h6,8H,2-5,7,9-10H2,1H3/b8-6+
InChIKeyLEHKDAQGFWHPRZ-SOFGYWHQSA-N
MW165.28 g/mol
LogP3.36
Rot. Bonds5

About 5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole

5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole (PubChem CID 71531028) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
PubChem CID71531028
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
SMILESCCCCC/C=C/C1=NCCC1
InChIInChI=1S/C11H19N/c1-2-3-4-5-6-8-11-9-7-10-12-11/h6,8H,2-5,7,9-10H2,1H3/b8-6+
InChIKeyLEHKDAQGFWHPRZ-SOFGYWHQSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
CID 102308509
2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine
CID 70356850
1-oct-1-enylcyclopentene
CID 134887291
1-[(E)-hept-1-enyl]cyclohexene
CID 173298368
1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
CID 19010192
(6E,12E)-octadeca-6,12-dienal
CID 10220937
2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole
CID 23051834
(E)-octacos-19-enal
CID 25245229
(Z)-tetradec-8-enal
CID 6430188
(E)-heptadec-6-enal
CID 122214705
(E)-tetradec-7-enal
CID 5283367
tetracos-11-enal
CID 173212441

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole (CID 71531028) is 5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole is CCCCC/C=C/C1=NCCC1.
What is the InChIKey of 5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is LEHKDAQGFWHPRZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H19N/c1-2-3-4-5-6-8-11-9-7-10-12-11/h6,8H,2-5,7,9-10H2,1H3/b8-6+.
What are the key properties of 5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole?
5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 71531028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).