4-ethyl-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-5-methylidene-2H-pyrrole

C13H19NO — CID 143990975

IUPAC4-ethyl-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-5-methylidene-2H-pyrrole
SMILESC=C(/C=C\C1=C(CC)C(=C)N(C)C1)OC
InChIInChI=1S/C13H19NO/c1-6-13-11(3)14(4)9-12(13)8-7-10(2)15-5/h7-8H,2-3,6,9H2,1,4-5H3/b8-7-
InChIKeyVYVHTHQPPVWRPG-FPLPWBNLSA-N
MW205.30 g/mol
LogP2.87
Rot. Bonds4

About 4-ethyl-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-5-methylidene-2H-pyrrole

4-ethyl-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-5-methylidene-2H-pyrrole (PubChem CID 143990975) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-ethyl-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-5-methylidene-2H-pyrrole.

Molecular Properties

Compound Name4-ethyl-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-5-methylidene-2H-pyrrole
PubChem CID143990975
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-ethyl-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-5-methylidene-2H-pyrrole
SMILESC=C(/C=C\C1=C(CC)C(=C)N(C)C1)OC
InChIInChI=1S/C13H19NO/c1-6-13-11(3)14(4)9-12(13)8-7-10(2)15-5/h7-8H,2-3,6,9H2,1,4-5H3/b8-7-
InChIKeyVYVHTHQPPVWRPG-FPLPWBNLSA-N
XLogP2.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methoxy-3-methylcyclohexa-1,3-dien-1-yl)pyrrolidine
CID 68381378
4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine
CID 88982036
3-methoxy-N,N-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 89569363
6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine
CID 123158046
6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine
CID 123475527
4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine
CID 123491650
2-(2-Methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine
CID 123572370
4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine
CID 123877489
5-Methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine
CID 129083849
(2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine
CID 138519123
(2E,4Z)-N-butan-2-yl-6-methoxy-N-[(5-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4,6-trien-3-amine
CID 138519234
(5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine
CID 139419803

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-5-methylidene-2H-pyrrole?
The IUPAC name of 4-ethyl-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-5-methylidene-2H-pyrrole (CID 143990975) is 4-ethyl-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-5-methylidene-2H-pyrrole.
What is the SMILES notation for 4-ethyl-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-5-methylidene-2H-pyrrole?
The canonical SMILES for 4-ethyl-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-5-methylidene-2H-pyrrole is C=C(/C=C\C1=C(CC)C(=C)N(C)C1)OC.
What is the InChIKey of 4-ethyl-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-5-methylidene-2H-pyrrole?
The InChIKey is VYVHTHQPPVWRPG-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H19NO/c1-6-13-11(3)14(4)9-12(13)8-7-10(2)15-5/h7-8H,2-3,6,9H2,1,4-5H3/b8-7-.
What are the key properties of 4-ethyl-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-5-methylidene-2H-pyrrole?
4-ethyl-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-5-methylidene-2H-pyrrole has a molecular weight of 205.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-5-methylidene-2H-pyrrole is sourced from PubChem (CID 143990975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).