(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-4-ethylidene-1,3-dimethyl-5-propylidenepyrrole

C15H21N — CID 143828495

IUPAC(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-4-ethylidene-1,3-dimethyl-5-propylidenepyrrole
SMILESC=C/C=C\c1c(C)c(=C/C)/c(=C\CC)n1C
InChIInChI=1S/C15H21N/c1-6-9-11-14-12(4)13(8-3)15(10-7-2)16(14)5/h6,8-11H,1,7H2,2-5H3/b11-9-,13-8-,15-10+
InChIKeyBEOQZGBVCIPVNS-UWNIGNCTSA-N
MW215.34 g/mol
LogP2.52
Rot. Bonds3

About (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-4-ethylidene-1,3-dimethyl-5-propylidenepyrrole

(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-4-ethylidene-1,3-dimethyl-5-propylidenepyrrole (PubChem CID 143828495) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-4-ethylidene-1,3-dimethyl-5-propylidenepyrrole.

Molecular Properties

Compound Name(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-4-ethylidene-1,3-dimethyl-5-propylidenepyrrole
PubChem CID143828495
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-4-ethylidene-1,3-dimethyl-5-propylidenepyrrole
SMILESC=C/C=C\c1c(C)c(=C/C)/c(=C\CC)n1C
InChIInChI=1S/C15H21N/c1-6-9-11-14-12(4)13(8-3)15(10-7-2)16(14)5/h6,8-11H,1,7H2,2-5H3/b11-9-,13-8-,15-10+
InChIKeyBEOQZGBVCIPVNS-UWNIGNCTSA-N
XLogP2.52
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.52
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

2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole
CID 134478719
4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1H-imidazol-2-one;ethane
CID 170584142
ethane;(2Z,3E,7Z)-1-ethenyl-3-ethylidene-6-methyl-5-[(Z)-pent-1-enyl]-2,7-di(propylidene)pyrrolizine
CID 145243190
(4E,5E)-1-methyl-5-prop-2-enylidene-4-propylideneimidazolidin-2-one
CID 143877064
(2S)-3-[2-[(1Z)-buta-1,3-dienyl]-4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]pyrrol-1-yl]-2-hydroxy-2-methylpropanamide
CID 154994049
(4Z,5E)-2-ethenyl-5-ethylidene-1-methyl-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrole
CID 174307966
(2E,3E)-3-ethylidene-1,7,7-trimethyl-2-propylidenecyclohepta[b]pyridin-4-one
CID 143903543
5-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-amine
CID 118249493
(5E)-3-[(1Z)-buta-1,3-dienyl]-1,2-dimethyl-4-methylidene-5-prop-2-enylidenepyrrole
CID 174312838
3-amino-5-[(1Z)-buta-1,3-dienyl]-1-methylpyrazole-4-carboxamide
CID 145415596
3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one
CID 170097280
[2-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-phosphanylphosphane
CID 167027514

Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-4-ethylidene-1,3-dimethyl-5-propylidenepyrrole?
The IUPAC name of (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-4-ethylidene-1,3-dimethyl-5-propylidenepyrrole (CID 143828495) is (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-4-ethylidene-1,3-dimethyl-5-propylidenepyrrole.
What is the SMILES notation for (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-4-ethylidene-1,3-dimethyl-5-propylidenepyrrole?
The canonical SMILES for (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-4-ethylidene-1,3-dimethyl-5-propylidenepyrrole is C=C/C=C\c1c(C)c(=C/C)/c(=C\CC)n1C.
What is the InChIKey of (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-4-ethylidene-1,3-dimethyl-5-propylidenepyrrole?
The InChIKey is BEOQZGBVCIPVNS-UWNIGNCTSA-N. The full InChI is InChI=1S/C15H21N/c1-6-9-11-14-12(4)13(8-3)15(10-7-2)16(14)5/h6,8-11H,1,7H2,2-5H3/b11-9-,13-8-,15-10+.
What are the key properties of (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-4-ethylidene-1,3-dimethyl-5-propylidenepyrrole?
(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-4-ethylidene-1,3-dimethyl-5-propylidenepyrrole has a molecular weight of 215.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-4-ethylidene-1,3-dimethyl-5-propylidenepyrrole is sourced from PubChem (CID 143828495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).