1-ethyl-5-[(Z)-1-methoxybut-1-enyl]-4-methyl-3,6-dihydro-2H-pyridine

C13H23NO — CID 153346799

IUPAC1-ethyl-5-[(Z)-1-methoxybut-1-enyl]-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC/C=C(\OC)C1=C(C)CCN(CC)C1
InChIInChI=1S/C13H23NO/c1-5-7-13(15-4)12-10-14(6-2)9-8-11(12)3/h7H,5-6,8-10H2,1-4H3/b13-7-
InChIKeyOFYVTHIPXCTIFZ-QPEQYQDCSA-N
MW209.33 g/mol
LogP2.97
Rot. Bonds4

About 1-ethyl-5-[(Z)-1-methoxybut-1-enyl]-4-methyl-3,6-dihydro-2H-pyridine

1-ethyl-5-[(Z)-1-methoxybut-1-enyl]-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 153346799) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-ethyl-5-[(Z)-1-methoxybut-1-enyl]-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-ethyl-5-[(Z)-1-methoxybut-1-enyl]-4-methyl-3,6-dihydro-2H-pyridine
PubChem CID153346799
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-ethyl-5-[(Z)-1-methoxybut-1-enyl]-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC/C=C(\OC)C1=C(C)CCN(CC)C1
InChIInChI=1S/C13H23NO/c1-5-7-13(15-4)12-10-14(6-2)9-8-11(12)3/h7H,5-6,8-10H2,1-4H3/b13-7-
InChIKeyOFYVTHIPXCTIFZ-QPEQYQDCSA-N
XLogP2.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.97
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

1-[(2-Fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine
CID 123168712
(E,2E)-N-butyl-2-(1-fluoroethylidene)-3-methoxy-N-methylpent-3-en-1-amine
CID 144302130
lithium 1-(3-methoxybenzene-2-id-1-yl)-N,N-dimethylmethanamine
CID 176428131
(2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine
CID 54179767
(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine
CID 54571566
4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine
CID 88982036
(3E,4Z)-3-[[(2E,4E)-hexa-2,4-dienoxy]methylidene]-N-prop-2-enyl-N-propylhepta-4,6-dien-1-amine
CID 118059284
3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine
CID 123395458
3-[Ethyl(methyl)amino]propyl-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]-dimethylazanium
CID 123996601
3,4-dimethoxy-N-methyl-2-methylidene-N-propylhex-3-en-1-amine
CID 124029618
6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
CID 130413521
(6E)-6-ethylidene-5-methylidene-3-propyl-1,3-oxazinane
CID 132091953

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(Z)-1-methoxybut-1-enyl]-4-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-ethyl-5-[(Z)-1-methoxybut-1-enyl]-4-methyl-3,6-dihydro-2H-pyridine (CID 153346799) is 1-ethyl-5-[(Z)-1-methoxybut-1-enyl]-4-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-ethyl-5-[(Z)-1-methoxybut-1-enyl]-4-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-ethyl-5-[(Z)-1-methoxybut-1-enyl]-4-methyl-3,6-dihydro-2H-pyridine is CC/C=C(\OC)C1=C(C)CCN(CC)C1.
What is the InChIKey of 1-ethyl-5-[(Z)-1-methoxybut-1-enyl]-4-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is OFYVTHIPXCTIFZ-QPEQYQDCSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-7-13(15-4)12-10-14(6-2)9-8-11(12)3/h7H,5-6,8-10H2,1-4H3/b13-7-.
What are the key properties of 1-ethyl-5-[(Z)-1-methoxybut-1-enyl]-4-methyl-3,6-dihydro-2H-pyridine?
1-ethyl-5-[(Z)-1-methoxybut-1-enyl]-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 209.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(Z)-1-methoxybut-1-enyl]-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 153346799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).