3-methyl-5-[4-(nitrosomethyl)phenyl]-1,2-dihydropyridine

C13H14N2O — CID 118549048

IUPAC3-methyl-5-[4-(nitrosomethyl)phenyl]-1,2-dihydropyridine
SMILESCC1=CC(c2ccc(CN=O)cc2)=CNC1
InChIInChI=1S/C13H14N2O/c1-10-6-13(9-14-7-10)12-4-2-11(3-5-12)8-15-16/h2-6,9,14H,7-8H2,1H3
InChIKeyUFHCRQIBFGJFCS-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.84
Rot. Bonds3

About 3-methyl-5-[4-(nitrosomethyl)phenyl]-1,2-dihydropyridine

3-methyl-5-[4-(nitrosomethyl)phenyl]-1,2-dihydropyridine (PubChem CID 118549048) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-methyl-5-[4-(nitrosomethyl)phenyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name3-methyl-5-[4-(nitrosomethyl)phenyl]-1,2-dihydropyridine
PubChem CID118549048
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-methyl-5-[4-(nitrosomethyl)phenyl]-1,2-dihydropyridine
SMILESCC1=CC(c2ccc(CN=O)cc2)=CNC1
InChIInChI=1S/C13H14N2O/c1-10-6-13(9-14-7-10)12-4-2-11(3-5-12)8-15-16/h2-6,9,14H,7-8H2,1H3
InChIKeyUFHCRQIBFGJFCS-UHFFFAOYSA-N
XLogP2.84
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene
CID 145467953
4-(nitrosomethyl)phenol
CID 54346225
1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine
CID 90956572
4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole
CID 134423680
CID 102446999
CID 102446999
4-(nitrosomethyl)benzene-1,2-diol
CID 54043215
1-methyl-4-[2-(nitrosomethyl)phenyl]benzene
CID 54442957
CID 102447003
CID 102447003
4-(nitrosomethyl)-1,2-diphenylbenzene
CID 91485748
1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene
CID 147554829
[2,6-dimethyl-4-(nitrosomethyl)phenyl]methanol
CID 145272360
5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine
CID 135735929

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-(nitrosomethyl)phenyl]-1,2-dihydropyridine?
The IUPAC name of 3-methyl-5-[4-(nitrosomethyl)phenyl]-1,2-dihydropyridine (CID 118549048) is 3-methyl-5-[4-(nitrosomethyl)phenyl]-1,2-dihydropyridine.
What is the SMILES notation for 3-methyl-5-[4-(nitrosomethyl)phenyl]-1,2-dihydropyridine?
The canonical SMILES for 3-methyl-5-[4-(nitrosomethyl)phenyl]-1,2-dihydropyridine is CC1=CC(c2ccc(CN=O)cc2)=CNC1.
What is the InChIKey of 3-methyl-5-[4-(nitrosomethyl)phenyl]-1,2-dihydropyridine?
The InChIKey is UFHCRQIBFGJFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-6-13(9-14-7-10)12-4-2-11(3-5-12)8-15-16/h2-6,9,14H,7-8H2,1H3.
What are the key properties of 3-methyl-5-[4-(nitrosomethyl)phenyl]-1,2-dihydropyridine?
3-methyl-5-[4-(nitrosomethyl)phenyl]-1,2-dihydropyridine has a molecular weight of 214.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-(nitrosomethyl)phenyl]-1,2-dihydropyridine is sourced from PubChem (CID 118549048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).