1-(cyclohexen-1-yl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]-3,6-dihydro-2H-pyridine

C18H27N — CID 142122880

IUPAC1-(cyclohexen-1-yl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]-3,6-dihydro-2H-pyridine
SMILESC/C=C\C(=C/CC)C1=CCN(C2=CCCCC2)CC1
InChIInChI=1S/C18H27N/c1-3-8-16(9-4-2)17-12-14-19(15-13-17)18-10-6-5-7-11-18/h3,8-10,12H,4-7,11,13-15H2,1-2H3/b8-3-,16-9+
InChIKeyAKARSFQGOIBOIF-QOWKATRFSA-N
MW257.42 g/mol
LogP4.99
Rot. Bonds4

About 1-(cyclohexen-1-yl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]-3,6-dihydro-2H-pyridine

1-(cyclohexen-1-yl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]-3,6-dihydro-2H-pyridine (PubChem CID 142122880) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]-3,6-dihydro-2H-pyridine
PubChem CID142122880
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-(cyclohexen-1-yl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]-3,6-dihydro-2H-pyridine
SMILESC/C=C\C(=C/CC)C1=CCN(C2=CCCCC2)CC1
InChIInChI=1S/C18H27N/c1-3-8-16(9-4-2)17-12-14-19(15-13-17)18-10-6-5-7-11-18/h3,8-10,12H,4-7,11,13-15H2,1-2H3/b8-3-,16-9+
InChIKeyAKARSFQGOIBOIF-QOWKATRFSA-N
XLogP4.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.99
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 1-(cyclohexen-1-yl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(cyclohexen-1-yl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]-3,6-dihydro-2H-pyridine (CID 142122880) is 1-(cyclohexen-1-yl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(cyclohexen-1-yl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]-3,6-dihydro-2H-pyridine is C/C=C\C(=C/CC)C1=CCN(C2=CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]-3,6-dihydro-2H-pyridine?
The InChIKey is AKARSFQGOIBOIF-QOWKATRFSA-N. The full InChI is InChI=1S/C18H27N/c1-3-8-16(9-4-2)17-12-14-19(15-13-17)18-10-6-5-7-11-18/h3,8-10,12H,4-7,11,13-15H2,1-2H3/b8-3-,16-9+.
What are the key properties of 1-(cyclohexen-1-yl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]-3,6-dihydro-2H-pyridine?
1-(cyclohexen-1-yl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]-3,6-dihydro-2H-pyridine has a molecular weight of 257.42 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 142122880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).