1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine

C7H12N2O — CID 57152000

IUPAC1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(CN=O)C1
InChIInChI=1S/C7H12N2O/c1-9-4-2-3-7(6-9)5-8-10/h3H,2,4-6H2,1H3
InChIKeyCMJRMMGKKNJNDF-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.01
Rot. Bonds2

About 1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine

1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine (PubChem CID 57152000) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine
PubChem CID57152000
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(CN=O)C1
InChIInChI=1S/C7H12N2O/c1-9-4-2-3-7(6-9)5-8-10/h3H,2,4-6H2,1H3
InChIKeyCMJRMMGKKNJNDF-UHFFFAOYSA-N
XLogP1.01
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 117205570
1-methyl-5-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methoxymethyl]-3,6-dihydro-2H-pyridine
CID 23500777
N,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
CID 117205559
5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 14615850
O-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]hydroxylamine
CID 117206000
1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 117205566
2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid
CID 117205922
N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
CID 139581381
[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate
CID 54494276
5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 168995095
1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride
CID 117069152
3-ethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one
CID 19987408

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine (CID 57152000) is 1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine is CN1CCC=C(CN=O)C1.
What is the InChIKey of 1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is CMJRMMGKKNJNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9-4-2-3-7(6-9)5-8-10/h3H,2,4-6H2,1H3.
What are the key properties of 1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine?
1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 140.19 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 57152000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).