5-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-2,3-dihydropyridine

C15H17N — CID 167198294

IUPAC5-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-2,3-dihydropyridine
SMILESC/C=C\c1cc(C2=CCCN=C2)ccc1C
InChIInChI=1S/C15H17N/c1-3-5-13-10-14(8-7-12(13)2)15-6-4-9-16-11-15/h3,5-8,10-11H,4,9H2,1-2H3/b5-3-
InChIKeyCUDSFRSKZSPFKF-HYXAFXHYSA-N
MW211.31 g/mol
LogP3.89
Rot. Bonds2

About 5-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-2,3-dihydropyridine

5-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-2,3-dihydropyridine (PubChem CID 167198294) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-2,3-dihydropyridine.

Molecular Properties

Compound Name5-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-2,3-dihydropyridine
PubChem CID167198294
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name5-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-2,3-dihydropyridine
SMILESC/C=C\c1cc(C2=CCCN=C2)ccc1C
InChIInChI=1S/C15H17N/c1-3-5-13-10-14(8-7-12(13)2)15-6-4-9-16-11-15/h3,5-8,10-11H,4,9H2,1-2H3/b5-3-
InChIKeyCUDSFRSKZSPFKF-HYXAFXHYSA-N
XLogP3.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-2,3-dihydropyridine?
The IUPAC name of 5-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-2,3-dihydropyridine (CID 167198294) is 5-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-2,3-dihydropyridine.
What is the SMILES notation for 5-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-2,3-dihydropyridine?
The canonical SMILES for 5-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-2,3-dihydropyridine is C/C=C\c1cc(C2=CCCN=C2)ccc1C.
What is the InChIKey of 5-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-2,3-dihydropyridine?
The InChIKey is CUDSFRSKZSPFKF-HYXAFXHYSA-N. The full InChI is InChI=1S/C15H17N/c1-3-5-13-10-14(8-7-12(13)2)15-6-4-9-16-11-15/h3,5-8,10-11H,4,9H2,1-2H3/b5-3-.
What are the key properties of 5-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-2,3-dihydropyridine?
5-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-2,3-dihydropyridine has a molecular weight of 211.31 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-2,3-dihydropyridine is sourced from PubChem (CID 167198294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).