4-methyl-5-prop-1-enyl-1,2,3,6-tetrahydropyridine

C9H15N — CID 123515438

IUPAC4-methyl-5-prop-1-enyl-1,2,3,6-tetrahydropyridine
SMILESCC=CC1=C(C)CCNC1
InChIInChI=1S/C9H15N/c1-3-4-9-7-10-6-5-8(9)2/h3-4,10H,5-7H2,1-2H3
InChIKeySXDGTPDAJXQFMC-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.87
Rot. Bonds1

About 4-methyl-5-prop-1-enyl-1,2,3,6-tetrahydropyridine

4-methyl-5-prop-1-enyl-1,2,3,6-tetrahydropyridine (PubChem CID 123515438) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-methyl-5-prop-1-enyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-methyl-5-prop-1-enyl-1,2,3,6-tetrahydropyridine
PubChem CID123515438
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-methyl-5-prop-1-enyl-1,2,3,6-tetrahydropyridine
SMILESCC=CC1=C(C)CCNC1
InChIInChI=1S/C9H15N/c1-3-4-9-7-10-6-5-8(9)2/h3-4,10H,5-7H2,1-2H3
InChIKeySXDGTPDAJXQFMC-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-prop-1-enyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-methyl-5-prop-1-enyl-1,2,3,6-tetrahydropyridine (CID 123515438) is 4-methyl-5-prop-1-enyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-methyl-5-prop-1-enyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-methyl-5-prop-1-enyl-1,2,3,6-tetrahydropyridine is CC=CC1=C(C)CCNC1.
What is the InChIKey of 4-methyl-5-prop-1-enyl-1,2,3,6-tetrahydropyridine?
The InChIKey is SXDGTPDAJXQFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-4-9-7-10-6-5-8(9)2/h3-4,10H,5-7H2,1-2H3.
What are the key properties of 4-methyl-5-prop-1-enyl-1,2,3,6-tetrahydropyridine?
4-methyl-5-prop-1-enyl-1,2,3,6-tetrahydropyridine has a molecular weight of 137.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-prop-1-enyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 123515438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).