6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine

C18H27N — CID 118616845

IUPAC6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine
SMILESC/C=C\C=C/C(C)C1C=NC(/C=C\CC)=CC1CC
InChIInChI=1S/C18H27N/c1-5-8-10-11-15(4)18-14-19-17(12-9-6-2)13-16(18)7-3/h5,8-16,18H,6-7H2,1-4H3/b8-5-,11-10-,12-9-
InChIKeyAQEOIZUHIAVMSH-GUXOZVKVSA-N
MW257.42 g/mol
LogP5.33
Rot. Bonds6

About 6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine

6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine (PubChem CID 118616845) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine.

Molecular Properties

Compound Name6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine
PubChem CID118616845
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine
SMILESC/C=C\C=C/C(C)C1C=NC(/C=C\CC)=CC1CC
InChIInChI=1S/C18H27N/c1-5-8-10-11-15(4)18-14-19-17(12-9-6-2)13-16(18)7-3/h5,8-16,18H,6-7H2,1-4H3/b8-5-,11-10-,12-9-
InChIKeyAQEOIZUHIAVMSH-GUXOZVKVSA-N
XLogP5.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine?
The IUPAC name of 6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine (CID 118616845) is 6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine.
What is the SMILES notation for 6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine?
The canonical SMILES for 6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine is C/C=C\C=C/C(C)C1C=NC(/C=C\CC)=CC1CC.
What is the InChIKey of 6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine?
The InChIKey is AQEOIZUHIAVMSH-GUXOZVKVSA-N. The full InChI is InChI=1S/C18H27N/c1-5-8-10-11-15(4)18-14-19-17(12-9-6-2)13-16(18)7-3/h5,8-16,18H,6-7H2,1-4H3/b8-5-,11-10-,12-9-.
What are the key properties of 6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine?
6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine has a molecular weight of 257.42 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-but-1-enyl]-4-ethyl-3-[(3Z,5Z)-hepta-3,5-dien-2-yl]-3,4-dihydropyridine is sourced from PubChem (CID 118616845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).