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

C11H21N — CID 142600010

IUPACethane;5-methyl-4-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine
SMILESC/C=C\C1=C(C)CNCC1.CC
InChIInChI=1S/C9H15N.C2H6/c1-3-4-9-5-6-10-7-8(9)2;1-2/h3-4,10H,5-7H2,1-2H3;1-2H3/b4-3-;
InChIKeyZFVOLOYBLKAZPE-LNKPDPKZSA-N
MW167.30 g/mol
LogP2.90
Rot. Bonds1

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

ethane;5-methyl-4-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine (PubChem CID 142600010) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is ethane;5-methyl-4-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Nameethane;5-methyl-4-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine
PubChem CID142600010
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameethane;5-methyl-4-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine
SMILESC/C=C\C1=C(C)CNCC1.CC
InChIInChI=1S/C9H15N.C2H6/c1-3-4-9-5-6-10-7-8(9)2;1-2/h3-4,10H,5-7H2,1-2H3;1-2H3/b4-3-;
InChIKeyZFVOLOYBLKAZPE-LNKPDPKZSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-4-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of ethane;5-methyl-4-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine (CID 142600010) is ethane;5-methyl-4-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for ethane;5-methyl-4-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for ethane;5-methyl-4-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine is C/C=C\C1=C(C)CNCC1.CC.
What is the InChIKey of ethane;5-methyl-4-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is ZFVOLOYBLKAZPE-LNKPDPKZSA-N. The full InChI is InChI=1S/C9H15N.C2H6/c1-3-4-9-5-6-10-7-8(9)2;1-2/h3-4,10H,5-7H2,1-2H3;1-2H3/b4-3-;.
What are the key properties of ethane;5-methyl-4-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine?
ethane;5-methyl-4-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 167.30 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-4-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 142600010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).