(2Z)-5-ethyl-1-methyl-3-[(3R)-2-methylpent-1-en-3-yl]oxy-2-pent-1-en-3-ylidenepyridine

C19H29NO — CID 178131186

IUPAC(2Z)-5-ethyl-1-methyl-3-[(3R)-2-methylpent-1-en-3-yl]oxy-2-pent-1-en-3-ylidenepyridine
SMILESC=C/C(CC)=C1/C(O[C@H](CC)C(=C)C)=CC(CC)=CN1C
InChIInChI=1S/C19H29NO/c1-8-15-12-18(21-17(11-4)14(5)6)19(20(7)13-15)16(9-2)10-3/h9,12-13,17H,2,5,8,10-11H2,1,3-4,6-7H3/b19-16+/t17-/m1/s1
InChIKeyRCPKSUMBBBIAIJ-FDCFBWIESA-N
MW287.45 g/mol
LogP5.33
Rot. Bonds7

About (2Z)-5-ethyl-1-methyl-3-[(3R)-2-methylpent-1-en-3-yl]oxy-2-pent-1-en-3-ylidenepyridine

(2Z)-5-ethyl-1-methyl-3-[(3R)-2-methylpent-1-en-3-yl]oxy-2-pent-1-en-3-ylidenepyridine (PubChem CID 178131186) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (2Z)-5-ethyl-1-methyl-3-[(3R)-2-methylpent-1-en-3-yl]oxy-2-pent-1-en-3-ylidenepyridine.

Molecular Properties

Compound Name(2Z)-5-ethyl-1-methyl-3-[(3R)-2-methylpent-1-en-3-yl]oxy-2-pent-1-en-3-ylidenepyridine
PubChem CID178131186
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(2Z)-5-ethyl-1-methyl-3-[(3R)-2-methylpent-1-en-3-yl]oxy-2-pent-1-en-3-ylidenepyridine
SMILESC=C/C(CC)=C1/C(O[C@H](CC)C(=C)C)=CC(CC)=CN1C
InChIInChI=1S/C19H29NO/c1-8-15-12-18(21-17(11-4)14(5)6)19(20(7)13-15)16(9-2)10-3/h9,12-13,17H,2,5,8,10-11H2,1,3-4,6-7H3/b19-16+/t17-/m1/s1
InChIKeyRCPKSUMBBBIAIJ-FDCFBWIESA-N
XLogP5.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 143811751
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CID 143935676
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CID 143935689
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CID 144455283
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CID 144611377
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CID 144782762
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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-ethyl-1-methyl-3-[(3R)-2-methylpent-1-en-3-yl]oxy-2-pent-1-en-3-ylidenepyridine?
The IUPAC name of (2Z)-5-ethyl-1-methyl-3-[(3R)-2-methylpent-1-en-3-yl]oxy-2-pent-1-en-3-ylidenepyridine (CID 178131186) is (2Z)-5-ethyl-1-methyl-3-[(3R)-2-methylpent-1-en-3-yl]oxy-2-pent-1-en-3-ylidenepyridine.
What is the SMILES notation for (2Z)-5-ethyl-1-methyl-3-[(3R)-2-methylpent-1-en-3-yl]oxy-2-pent-1-en-3-ylidenepyridine?
The canonical SMILES for (2Z)-5-ethyl-1-methyl-3-[(3R)-2-methylpent-1-en-3-yl]oxy-2-pent-1-en-3-ylidenepyridine is C=C/C(CC)=C1/C(O[C@H](CC)C(=C)C)=CC(CC)=CN1C.
What is the InChIKey of (2Z)-5-ethyl-1-methyl-3-[(3R)-2-methylpent-1-en-3-yl]oxy-2-pent-1-en-3-ylidenepyridine?
The InChIKey is RCPKSUMBBBIAIJ-FDCFBWIESA-N. The full InChI is InChI=1S/C19H29NO/c1-8-15-12-18(21-17(11-4)14(5)6)19(20(7)13-15)16(9-2)10-3/h9,12-13,17H,2,5,8,10-11H2,1,3-4,6-7H3/b19-16+/t17-/m1/s1.
What are the key properties of (2Z)-5-ethyl-1-methyl-3-[(3R)-2-methylpent-1-en-3-yl]oxy-2-pent-1-en-3-ylidenepyridine?
(2Z)-5-ethyl-1-methyl-3-[(3R)-2-methylpent-1-en-3-yl]oxy-2-pent-1-en-3-ylidenepyridine has a molecular weight of 287.45 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-ethyl-1-methyl-3-[(3R)-2-methylpent-1-en-3-yl]oxy-2-pent-1-en-3-ylidenepyridine is sourced from PubChem (CID 178131186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).