ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine

C13H23N — CID 143453691

IUPACethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine
SMILESC=CC1=C(/C=C\C)NC(C)CC1.CC
InChIInChI=1S/C11H17N.C2H6/c1-4-6-11-10(5-2)8-7-9(3)12-11;1-2/h4-6,9,12H,2,7-8H2,1,3H3;1-2H3/b6-4-;
InChIKeyPWUVLUKUSAXGMQ-YHSAGPEESA-N
MW193.33 g/mol
LogP3.80
Rot. Bonds2

About ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine

ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine (PubChem CID 143453691) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Nameethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine
PubChem CID143453691
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Nameethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine
SMILESC=CC1=C(/C=C\C)NC(C)CC1.CC
InChIInChI=1S/C11H17N.C2H6/c1-4-6-11-10(5-2)8-7-9(3)12-11;1-2/h4-6,9,12H,2,7-8H2,1,3H3;1-2H3/b6-4-;
InChIKeyPWUVLUKUSAXGMQ-YHSAGPEESA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine?
The IUPAC name of ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine (CID 143453691) is ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine?
The canonical SMILES for ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine is C=CC1=C(/C=C\C)NC(C)CC1.CC.
What is the InChIKey of ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine?
The InChIKey is PWUVLUKUSAXGMQ-YHSAGPEESA-N. The full InChI is InChI=1S/C11H17N.C2H6/c1-4-6-11-10(5-2)8-7-9(3)12-11;1-2/h4-6,9,12H,2,7-8H2,1,3H3;1-2H3/b6-4-;.
What are the key properties of ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine?
ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine has a molecular weight of 193.33 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 143453691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).