4-(2-methyl-3-nitrosopent-1-enyl)pyridine

C11H14N2O — CID 91213357

IUPAC4-(2-methyl-3-nitrosopent-1-enyl)pyridine
SMILESCCC(N=O)C(C)=Cc1ccncc1
InChIInChI=1S/C11H14N2O/c1-3-11(13-14)9(2)8-10-4-6-12-7-5-10/h4-8,11H,3H2,1-2H3
InChIKeyGOJJWAOCMJUGEU-UHFFFAOYSA-N
MW190.25 g/mol
LogP3.03
Rot. Bonds4

About 4-(2-methyl-3-nitrosopent-1-enyl)pyridine

4-(2-methyl-3-nitrosopent-1-enyl)pyridine (PubChem CID 91213357) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-(2-methyl-3-nitrosopent-1-enyl)pyridine.

Molecular Properties

Compound Name4-(2-methyl-3-nitrosopent-1-enyl)pyridine
PubChem CID91213357
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4-(2-methyl-3-nitrosopent-1-enyl)pyridine
SMILESCCC(N=O)C(C)=Cc1ccncc1
InChIInChI=1S/C11H14N2O/c1-3-11(13-14)9(2)8-10-4-6-12-7-5-10/h4-8,11H,3H2,1-2H3
InChIKeyGOJJWAOCMJUGEU-UHFFFAOYSA-N
XLogP3.03
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-nitrosopent-1-enyl)pyridine?
The IUPAC name of 4-(2-methyl-3-nitrosopent-1-enyl)pyridine (CID 91213357) is 4-(2-methyl-3-nitrosopent-1-enyl)pyridine.
What is the SMILES notation for 4-(2-methyl-3-nitrosopent-1-enyl)pyridine?
The canonical SMILES for 4-(2-methyl-3-nitrosopent-1-enyl)pyridine is CCC(N=O)C(C)=Cc1ccncc1.
What is the InChIKey of 4-(2-methyl-3-nitrosopent-1-enyl)pyridine?
The InChIKey is GOJJWAOCMJUGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-11(13-14)9(2)8-10-4-6-12-7-5-10/h4-8,11H,3H2,1-2H3.
What are the key properties of 4-(2-methyl-3-nitrosopent-1-enyl)pyridine?
4-(2-methyl-3-nitrosopent-1-enyl)pyridine has a molecular weight of 190.25 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-nitrosopent-1-enyl)pyridine is sourced from PubChem (CID 91213357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).