(2E)-4-ethyl-1-(3-methoxypropyl)-3-methylidene-2-prop-2-enylidenepyrrole

C14H21NO — CID 143499940

IUPAC(2E)-4-ethyl-1-(3-methoxypropyl)-3-methylidene-2-prop-2-enylidenepyrrole
SMILESC=C/C=c1\c(=C)c(CC)cn1CCCOC
InChIInChI=1S/C14H21NO/c1-5-8-14-12(3)13(6-2)11-15(14)9-7-10-16-4/h5,8,11H,1,3,6-7,9-10H2,2,4H3/b14-8+
InChIKeyHACQQLVGYYMDOS-RIYZIHGNSA-N
MW219.33 g/mol
LogP1.46
Rot. Bonds6

About (2E)-4-ethyl-1-(3-methoxypropyl)-3-methylidene-2-prop-2-enylidenepyrrole

(2E)-4-ethyl-1-(3-methoxypropyl)-3-methylidene-2-prop-2-enylidenepyrrole (PubChem CID 143499940) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2E)-4-ethyl-1-(3-methoxypropyl)-3-methylidene-2-prop-2-enylidenepyrrole.

Molecular Properties

Compound Name(2E)-4-ethyl-1-(3-methoxypropyl)-3-methylidene-2-prop-2-enylidenepyrrole
PubChem CID143499940
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2E)-4-ethyl-1-(3-methoxypropyl)-3-methylidene-2-prop-2-enylidenepyrrole
SMILESC=C/C=c1\c(=C)c(CC)cn1CCCOC
InChIInChI=1S/C14H21NO/c1-5-8-14-12(3)13(6-2)11-15(14)9-7-10-16-4/h5,8,11H,1,3,6-7,9-10H2,2,4H3/b14-8+
InChIKeyHACQQLVGYYMDOS-RIYZIHGNSA-N
XLogP1.46
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrrol-3-yl]-N-ethyl-N-methylethanamine
CID 70961179
1-(3-Methoxypropyl)-3-methyl-5,6-dihydroindole
CID 143109251
(2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole;formaldehyde
CID 143502779
(3Z)-3-ethyl-N-(2-methoxyethyl)-N-methylhexa-1,3,5-trien-2-amine
CID 144140004
(3Z)-N-(3-methoxybutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
CID 153334037
(2E,3Z)-2,3-di(ethylidene)-1-(3-methoxy-2-methylpropyl)pyrrole
CID 169694748
(2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole
CID 143502780
N-(3-ethoxypropyl)-5-ethyl-N-methylcyclohepta-1,4,6-trien-1-amine
CID 143587807
(2E,3Z)-1-ethyl-3-ethylidene-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-2-prop-2-enylidenepyrrole
CID 145180674

Frequently Asked Questions

What is the IUPAC name of (2E)-4-ethyl-1-(3-methoxypropyl)-3-methylidene-2-prop-2-enylidenepyrrole?
The IUPAC name of (2E)-4-ethyl-1-(3-methoxypropyl)-3-methylidene-2-prop-2-enylidenepyrrole (CID 143499940) is (2E)-4-ethyl-1-(3-methoxypropyl)-3-methylidene-2-prop-2-enylidenepyrrole.
What is the SMILES notation for (2E)-4-ethyl-1-(3-methoxypropyl)-3-methylidene-2-prop-2-enylidenepyrrole?
The canonical SMILES for (2E)-4-ethyl-1-(3-methoxypropyl)-3-methylidene-2-prop-2-enylidenepyrrole is C=C/C=c1\c(=C)c(CC)cn1CCCOC.
What is the InChIKey of (2E)-4-ethyl-1-(3-methoxypropyl)-3-methylidene-2-prop-2-enylidenepyrrole?
The InChIKey is HACQQLVGYYMDOS-RIYZIHGNSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-8-14-12(3)13(6-2)11-15(14)9-7-10-16-4/h5,8,11H,1,3,6-7,9-10H2,2,4H3/b14-8+.
What are the key properties of (2E)-4-ethyl-1-(3-methoxypropyl)-3-methylidene-2-prop-2-enylidenepyrrole?
(2E)-4-ethyl-1-(3-methoxypropyl)-3-methylidene-2-prop-2-enylidenepyrrole has a molecular weight of 219.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-ethyl-1-(3-methoxypropyl)-3-methylidene-2-prop-2-enylidenepyrrole is sourced from PubChem (CID 143499940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).