(4Z)-2-buta-1,3-dienyl-3,5-diethyl-4-propylidene-2,3-dihydropyrrole

C15H23N — CID 123428408

IUPAC(4Z)-2-buta-1,3-dienyl-3,5-diethyl-4-propylidene-2,3-dihydropyrrole
SMILESC=CC=CC1N=C(CC)/C(=C\CC)C1CC
InChIInChI=1S/C15H23N/c1-5-9-11-15-12(7-3)13(10-6-2)14(8-4)16-15/h5,9-12,15H,1,6-8H2,2-4H3/b11-9?,13-10-
InChIKeyGIOVQHMAEQVLAY-MRDQSCOPSA-N
MW217.36 g/mol
LogP4.32
Rot. Bonds5

About (4Z)-2-buta-1,3-dienyl-3,5-diethyl-4-propylidene-2,3-dihydropyrrole

(4Z)-2-buta-1,3-dienyl-3,5-diethyl-4-propylidene-2,3-dihydropyrrole (PubChem CID 123428408) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (4Z)-2-buta-1,3-dienyl-3,5-diethyl-4-propylidene-2,3-dihydropyrrole.

Molecular Properties

Compound Name(4Z)-2-buta-1,3-dienyl-3,5-diethyl-4-propylidene-2,3-dihydropyrrole
PubChem CID123428408
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(4Z)-2-buta-1,3-dienyl-3,5-diethyl-4-propylidene-2,3-dihydropyrrole
SMILESC=CC=CC1N=C(CC)/C(=C\CC)C1CC
InChIInChI=1S/C15H23N/c1-5-9-11-15-12(7-3)13(10-6-2)14(8-4)16-15/h5,9-12,15H,1,6-8H2,2-4H3/b11-9?,13-10-
InChIKeyGIOVQHMAEQVLAY-MRDQSCOPSA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 6445873
CID 6445873
2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
CID 6445872
Lanopylin A2
CID 11427950
5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
CID 101409054
CID 101409054
3-methyl-5-penta-1,3-dienyl-3,4-dihydro-2H-pyrrole
CID 162856209
9-Fluoro-2,7-dimethyl-3,4,4a,5,6,10a-hexahydrocycloocta[b]pyridine
CID 123688718
5-ethenyl-3-[3-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)propyl]-2H-pyrrole
CID 134390099
3-Ethyl-10-fluoro-2-azabicyclo[5.4.1]dodeca-2,4,8,10-tetraene
CID 146580857
(2S)-2-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-5-propan-2-yl-3,4-dihydro-2H-pyrrole
CID 167026133
(2S)-5-cyclopropyl-2-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyrrole
CID 167026383
2-butyl-5-hepta-1,3-dienyl-3,4-dihydro-2H-pyrrole
CID 600717

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-buta-1,3-dienyl-3,5-diethyl-4-propylidene-2,3-dihydropyrrole?
The IUPAC name of (4Z)-2-buta-1,3-dienyl-3,5-diethyl-4-propylidene-2,3-dihydropyrrole (CID 123428408) is (4Z)-2-buta-1,3-dienyl-3,5-diethyl-4-propylidene-2,3-dihydropyrrole.
What is the SMILES notation for (4Z)-2-buta-1,3-dienyl-3,5-diethyl-4-propylidene-2,3-dihydropyrrole?
The canonical SMILES for (4Z)-2-buta-1,3-dienyl-3,5-diethyl-4-propylidene-2,3-dihydropyrrole is C=CC=CC1N=C(CC)/C(=C\CC)C1CC.
What is the InChIKey of (4Z)-2-buta-1,3-dienyl-3,5-diethyl-4-propylidene-2,3-dihydropyrrole?
The InChIKey is GIOVQHMAEQVLAY-MRDQSCOPSA-N. The full InChI is InChI=1S/C15H23N/c1-5-9-11-15-12(7-3)13(10-6-2)14(8-4)16-15/h5,9-12,15H,1,6-8H2,2-4H3/b11-9?,13-10-.
What are the key properties of (4Z)-2-buta-1,3-dienyl-3,5-diethyl-4-propylidene-2,3-dihydropyrrole?
(4Z)-2-buta-1,3-dienyl-3,5-diethyl-4-propylidene-2,3-dihydropyrrole has a molecular weight of 217.36 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-buta-1,3-dienyl-3,5-diethyl-4-propylidene-2,3-dihydropyrrole is sourced from PubChem (CID 123428408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).