2-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-3,6-dimethyl-2,3-dihydropyridine

C14H21N — CID 155372191

IUPAC2-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-3,6-dimethyl-2,3-dihydropyridine
SMILESC/C=C\C=C/[C@H](C)C1N=C(C)C=CC1C
InChIInChI=1S/C14H21N/c1-5-6-7-8-11(2)14-12(3)9-10-13(4)15-14/h5-12,14H,1-4H3/b6-5-,8-7-/t11-,12?,14?/m0/s1
InChIKeyURMXYCWRMYDWGD-ZNOLKSSLSA-N
MW203.33 g/mol
LogP3.79
Rot. Bonds3

About 2-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-3,6-dimethyl-2,3-dihydropyridine

2-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-3,6-dimethyl-2,3-dihydropyridine (PubChem CID 155372191) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-3,6-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-3,6-dimethyl-2,3-dihydropyridine
PubChem CID155372191
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-3,6-dimethyl-2,3-dihydropyridine
SMILESC/C=C\C=C/[C@H](C)C1N=C(C)C=CC1C
InChIInChI=1S/C14H21N/c1-5-6-7-8-11(2)14-12(3)9-10-13(4)15-14/h5-12,14H,1-4H3/b6-5-,8-7-/t11-,12?,14?/m0/s1
InChIKeyURMXYCWRMYDWGD-ZNOLKSSLSA-N
XLogP3.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.79
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 2-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-3,6-dimethyl-2,3-dihydropyridine?
The IUPAC name of 2-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-3,6-dimethyl-2,3-dihydropyridine (CID 155372191) is 2-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-3,6-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for 2-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-3,6-dimethyl-2,3-dihydropyridine?
The canonical SMILES for 2-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-3,6-dimethyl-2,3-dihydropyridine is C/C=C\C=C/[C@H](C)C1N=C(C)C=CC1C.
What is the InChIKey of 2-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-3,6-dimethyl-2,3-dihydropyridine?
The InChIKey is URMXYCWRMYDWGD-ZNOLKSSLSA-N. The full InChI is InChI=1S/C14H21N/c1-5-6-7-8-11(2)14-12(3)9-10-13(4)15-14/h5-12,14H,1-4H3/b6-5-,8-7-/t11-,12?,14?/m0/s1.
What are the key properties of 2-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-3,6-dimethyl-2,3-dihydropyridine?
2-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-3,6-dimethyl-2,3-dihydropyridine has a molecular weight of 203.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-3,6-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 155372191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).