3-ethenyl-1-ethyl-4-[(E)-2-methoxyprop-1-enyl]-5-methylidene-2H-pyrrole

C13H19NO — CID 143510626

IUPAC3-ethenyl-1-ethyl-4-[(E)-2-methoxyprop-1-enyl]-5-methylidene-2H-pyrrole
SMILESC=CC1=C(/C=C(\C)OC)C(=C)N(CC)C1
InChIInChI=1S/C13H19NO/c1-6-12-9-14(7-2)11(4)13(12)8-10(3)15-5/h6,8H,1,4,7,9H2,2-3,5H3/b10-8+
InChIKeyBLRSBECEJIMOFP-CSKARUKUSA-N
MW205.30 g/mol
LogP2.87
Rot. Bonds4

About 3-ethenyl-1-ethyl-4-[(E)-2-methoxyprop-1-enyl]-5-methylidene-2H-pyrrole

3-ethenyl-1-ethyl-4-[(E)-2-methoxyprop-1-enyl]-5-methylidene-2H-pyrrole (PubChem CID 143510626) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-ethenyl-1-ethyl-4-[(E)-2-methoxyprop-1-enyl]-5-methylidene-2H-pyrrole.

Molecular Properties

Compound Name3-ethenyl-1-ethyl-4-[(E)-2-methoxyprop-1-enyl]-5-methylidene-2H-pyrrole
PubChem CID143510626
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-ethenyl-1-ethyl-4-[(E)-2-methoxyprop-1-enyl]-5-methylidene-2H-pyrrole
SMILESC=CC1=C(/C=C(\C)OC)C(=C)N(CC)C1
InChIInChI=1S/C13H19NO/c1-6-12-9-14(7-2)11(4)13(12)8-10(3)15-5/h6,8H,1,4,7,9H2,2-3,5H3/b10-8+
InChIKeyBLRSBECEJIMOFP-CSKARUKUSA-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'}

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Related Compounds

4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine
CID 123491650
N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine
CID 123581075
N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 123792144
(Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine
CID 135276508
(2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole
CID 142144047
ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine
CID 143262741
N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine
CID 143406798
(2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol
CID 143911361
(2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine
CID 143921330
(5Z)-4-[(1E)-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-5-pentylidene-2H-pyrrole
CID 143989148
(3E)-1-ethyl-3-(1-methoxyprop-2-enylidene)-2-methylidenepyrrole
CID 145207363
ethane;(3E)-N-ethyl-N,5-dimethyl-4-propoxyhexa-1,3,5-trien-2-amine
CID 145316989

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-ethyl-4-[(E)-2-methoxyprop-1-enyl]-5-methylidene-2H-pyrrole?
The IUPAC name of 3-ethenyl-1-ethyl-4-[(E)-2-methoxyprop-1-enyl]-5-methylidene-2H-pyrrole (CID 143510626) is 3-ethenyl-1-ethyl-4-[(E)-2-methoxyprop-1-enyl]-5-methylidene-2H-pyrrole.
What is the SMILES notation for 3-ethenyl-1-ethyl-4-[(E)-2-methoxyprop-1-enyl]-5-methylidene-2H-pyrrole?
The canonical SMILES for 3-ethenyl-1-ethyl-4-[(E)-2-methoxyprop-1-enyl]-5-methylidene-2H-pyrrole is C=CC1=C(/C=C(\C)OC)C(=C)N(CC)C1.
What is the InChIKey of 3-ethenyl-1-ethyl-4-[(E)-2-methoxyprop-1-enyl]-5-methylidene-2H-pyrrole?
The InChIKey is BLRSBECEJIMOFP-CSKARUKUSA-N. The full InChI is InChI=1S/C13H19NO/c1-6-12-9-14(7-2)11(4)13(12)8-10(3)15-5/h6,8H,1,4,7,9H2,2-3,5H3/b10-8+.
What are the key properties of 3-ethenyl-1-ethyl-4-[(E)-2-methoxyprop-1-enyl]-5-methylidene-2H-pyrrole?
3-ethenyl-1-ethyl-4-[(E)-2-methoxyprop-1-enyl]-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 3-ethenyl-1-ethyl-4-[(E)-2-methoxyprop-1-enyl]-5-methylidene-2H-pyrrole is sourced from PubChem (CID 143510626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).