ethane;5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,2-dihydropyridine

C14H21N — CID 143452613

IUPACethane;5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,2-dihydropyridine
SMILESC=C(C)/C=C\C(=C)C1=CNCC=C1.CC
InChIInChI=1S/C12H15N.C2H6/c1-10(2)6-7-11(3)12-5-4-8-13-9-12;1-2/h4-7,9,13H,1,3,8H2,2H3;1-2H3/b7-6-;
InChIKeySFZDHLHBCWZMOQ-NAFXZHHSSA-N
MW203.33 g/mol
LogP3.74
Rot. Bonds3

About ethane;5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,2-dihydropyridine

ethane;5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,2-dihydropyridine (PubChem CID 143452613) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is ethane;5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,2-dihydropyridine.

Molecular Properties

Compound Nameethane;5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,2-dihydropyridine
PubChem CID143452613
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Nameethane;5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,2-dihydropyridine
SMILESC=C(C)/C=C\C(=C)C1=CNCC=C1.CC
InChIInChI=1S/C12H15N.C2H6/c1-10(2)6-7-11(3)12-5-4-8-13-9-12;1-2/h4-7,9,13H,1,3,8H2,2H3;1-2H3/b7-6-;
InChIKeySFZDHLHBCWZMOQ-NAFXZHHSSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-amino-1-(1,2-dihydropyridin-5-yl)prop-2-en-1-one
CID 163766536
1-(1,2-dihydropyridin-5-yl)propan-1-one
CID 156524495
propan-2-yl 1,2-dihydropyridine-5-carboxylate
CID 141307542
1,2-dihydropyridine-5-carbaldehyde
CID 19045893
(3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen
CID 144794345
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(3Z)-2-methyl-5-methylidenehepta-1,3,6-triene
CID 58174936
4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]benzoyl fluoride
CID 134267997
5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole
CID 155706862
ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 142092985
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424

Frequently Asked Questions

What is the IUPAC name of ethane;5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,2-dihydropyridine?
The IUPAC name of ethane;5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,2-dihydropyridine (CID 143452613) is ethane;5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,2-dihydropyridine.
What is the SMILES notation for ethane;5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,2-dihydropyridine?
The canonical SMILES for ethane;5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,2-dihydropyridine is C=C(C)/C=C\C(=C)C1=CNCC=C1.CC.
What is the InChIKey of ethane;5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,2-dihydropyridine?
The InChIKey is SFZDHLHBCWZMOQ-NAFXZHHSSA-N. The full InChI is InChI=1S/C12H15N.C2H6/c1-10(2)6-7-11(3)12-5-4-8-13-9-12;1-2/h4-7,9,13H,1,3,8H2,2H3;1-2H3/b7-6-;.
What are the key properties of ethane;5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,2-dihydropyridine?
ethane;5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,2-dihydropyridine has a molecular weight of 203.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,2-dihydropyridine is sourced from PubChem (CID 143452613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).