4-methyl-6-[2-[(E)-prop-1-enyl]phenyl]-1,2-dihydropyridine

C15H17N — CID 129276692

IUPAC4-methyl-6-[2-[(E)-prop-1-enyl]phenyl]-1,2-dihydropyridine
SMILESC/C=C/c1ccccc1C1=CC(C)=CCN1
InChIInChI=1S/C15H17N/c1-3-6-13-7-4-5-8-14(13)15-11-12(2)9-10-16-15/h3-9,11,16H,10H2,1-2H3/b6-3+
InChIKeyYQVOMPWHCMEKEZ-ZZXKWVIFSA-N
MW211.31 g/mol
LogP3.61
Rot. Bonds2

About 4-methyl-6-[2-[(E)-prop-1-enyl]phenyl]-1,2-dihydropyridine

4-methyl-6-[2-[(E)-prop-1-enyl]phenyl]-1,2-dihydropyridine (PubChem CID 129276692) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-methyl-6-[2-[(E)-prop-1-enyl]phenyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name4-methyl-6-[2-[(E)-prop-1-enyl]phenyl]-1,2-dihydropyridine
PubChem CID129276692
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name4-methyl-6-[2-[(E)-prop-1-enyl]phenyl]-1,2-dihydropyridine
SMILESC/C=C/c1ccccc1C1=CC(C)=CCN1
InChIInChI=1S/C15H17N/c1-3-6-13-7-4-5-8-14(13)15-11-12(2)9-10-16-15/h3-9,11,16H,10H2,1-2H3/b6-3+
InChIKeyYQVOMPWHCMEKEZ-ZZXKWVIFSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-[(E)-prop-1-enyl]phenyl]-1,2-dihydropyridine?
The IUPAC name of 4-methyl-6-[2-[(E)-prop-1-enyl]phenyl]-1,2-dihydropyridine (CID 129276692) is 4-methyl-6-[2-[(E)-prop-1-enyl]phenyl]-1,2-dihydropyridine.
What is the SMILES notation for 4-methyl-6-[2-[(E)-prop-1-enyl]phenyl]-1,2-dihydropyridine?
The canonical SMILES for 4-methyl-6-[2-[(E)-prop-1-enyl]phenyl]-1,2-dihydropyridine is C/C=C/c1ccccc1C1=CC(C)=CCN1.
What is the InChIKey of 4-methyl-6-[2-[(E)-prop-1-enyl]phenyl]-1,2-dihydropyridine?
The InChIKey is YQVOMPWHCMEKEZ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C15H17N/c1-3-6-13-7-4-5-8-14(13)15-11-12(2)9-10-16-15/h3-9,11,16H,10H2,1-2H3/b6-3+.
What are the key properties of 4-methyl-6-[2-[(E)-prop-1-enyl]phenyl]-1,2-dihydropyridine?
4-methyl-6-[2-[(E)-prop-1-enyl]phenyl]-1,2-dihydropyridine has a molecular weight of 211.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-[(E)-prop-1-enyl]phenyl]-1,2-dihydropyridine is sourced from PubChem (CID 129276692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).