2-but-1-en-2-yl-5-cyclopenta-1,3-dien-1-yl-2-ethyl-3,4-dihydropyrrole

C15H21N — CID 90987364

IUPAC2-but-1-en-2-yl-5-cyclopenta-1,3-dien-1-yl-2-ethyl-3,4-dihydropyrrole
SMILESC=C(CC)C1(CC)CCC(C2=CC=CC2)=N1
InChIInChI=1S/C15H21N/c1-4-12(3)15(5-2)11-10-14(16-15)13-8-6-7-9-13/h6-8H,3-5,9-11H2,1-2H3
InChIKeyHXLXBXGXJQELRX-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.22
Rot. Bonds4

About 2-but-1-en-2-yl-5-cyclopenta-1,3-dien-1-yl-2-ethyl-3,4-dihydropyrrole

2-but-1-en-2-yl-5-cyclopenta-1,3-dien-1-yl-2-ethyl-3,4-dihydropyrrole (PubChem CID 90987364) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-but-1-en-2-yl-5-cyclopenta-1,3-dien-1-yl-2-ethyl-3,4-dihydropyrrole.

Molecular Properties

Compound Name2-but-1-en-2-yl-5-cyclopenta-1,3-dien-1-yl-2-ethyl-3,4-dihydropyrrole
PubChem CID90987364
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-but-1-en-2-yl-5-cyclopenta-1,3-dien-1-yl-2-ethyl-3,4-dihydropyrrole
SMILESC=C(CC)C1(CC)CCC(C2=CC=CC2)=N1
InChIInChI=1S/C15H21N/c1-4-12(3)15(5-2)11-10-14(16-15)13-8-6-7-9-13/h6-8H,3-5,9-11H2,1-2H3
InChIKeyHXLXBXGXJQELRX-UHFFFAOYSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.22
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

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(5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine
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(4Z)-2-buta-1,3-dienyl-3,5-diethyl-4-propylidene-2,3-dihydropyrrole
CID 123428408
(6Z)-7-butan-2-yl-6-but-2-enylidene-2,3,4,5-tetrahydroazepine
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3,7a-Dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole
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2-Hexyl-2,5-dimethylpyrrole
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Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yl-5-cyclopenta-1,3-dien-1-yl-2-ethyl-3,4-dihydropyrrole?
The IUPAC name of 2-but-1-en-2-yl-5-cyclopenta-1,3-dien-1-yl-2-ethyl-3,4-dihydropyrrole (CID 90987364) is 2-but-1-en-2-yl-5-cyclopenta-1,3-dien-1-yl-2-ethyl-3,4-dihydropyrrole.
What is the SMILES notation for 2-but-1-en-2-yl-5-cyclopenta-1,3-dien-1-yl-2-ethyl-3,4-dihydropyrrole?
The canonical SMILES for 2-but-1-en-2-yl-5-cyclopenta-1,3-dien-1-yl-2-ethyl-3,4-dihydropyrrole is C=C(CC)C1(CC)CCC(C2=CC=CC2)=N1.
What is the InChIKey of 2-but-1-en-2-yl-5-cyclopenta-1,3-dien-1-yl-2-ethyl-3,4-dihydropyrrole?
The InChIKey is HXLXBXGXJQELRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-4-12(3)15(5-2)11-10-14(16-15)13-8-6-7-9-13/h6-8H,3-5,9-11H2,1-2H3.
What are the key properties of 2-but-1-en-2-yl-5-cyclopenta-1,3-dien-1-yl-2-ethyl-3,4-dihydropyrrole?
2-but-1-en-2-yl-5-cyclopenta-1,3-dien-1-yl-2-ethyl-3,4-dihydropyrrole has a molecular weight of 215.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yl-5-cyclopenta-1,3-dien-1-yl-2-ethyl-3,4-dihydropyrrole is sourced from PubChem (CID 90987364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).