3-(2-methyl-3-nitrosobut-1-enyl)pyridine

C10H12N2O — CID 90941422

IUPAC3-(2-methyl-3-nitrosobut-1-enyl)pyridine
SMILESCC(=Cc1cccnc1)C(C)N=O
InChIInChI=1S/C10H12N2O/c1-8(9(2)12-13)6-10-4-3-5-11-7-10/h3-7,9H,1-2H3
InChIKeyOBVFPDUSTSHFAF-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.64
Rot. Bonds3

About 3-(2-methyl-3-nitrosobut-1-enyl)pyridine

3-(2-methyl-3-nitrosobut-1-enyl)pyridine (PubChem CID 90941422) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-(2-methyl-3-nitrosobut-1-enyl)pyridine.

Molecular Properties

Compound Name3-(2-methyl-3-nitrosobut-1-enyl)pyridine
PubChem CID90941422
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-(2-methyl-3-nitrosobut-1-enyl)pyridine
SMILESCC(=Cc1cccnc1)C(C)N=O
InChIInChI=1S/C10H12N2O/c1-8(9(2)12-13)6-10-4-3-5-11-7-10/h3-7,9H,1-2H3
InChIKeyOBVFPDUSTSHFAF-UHFFFAOYSA-N
XLogP2.64
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine
CID 103093541
3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine
CID 45079882
(2Z)-4-methyl-3-oxo-2-(pyridin-3-ylmethylidene)pentanoic acid
CID 69453243
(Z)-2-methoxy-3-pyridin-3-ylprop-2-enal
CID 102492010
(E)-N,5-dimethyl-6-pyridin-3-ylhex-5-en-2-amine
CID 87467854
1-(butylamino)-2-pyridin-3-ylethenol
CID 71416550
(E)-7-pyridin-3-yl-4-[(E)-3-pyridin-3-ylprop-2-enoyl]hept-6-ene-2,3,5-trione
CID 163460946
(NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine
CID 101384779
N,4-dimethyl-5-pyridin-3-ylpent-4-en-1-amine
CID 54508812
CID 131858610
CID 131858610
(Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 19183690
molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 168909780

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-nitrosobut-1-enyl)pyridine?
The IUPAC name of 3-(2-methyl-3-nitrosobut-1-enyl)pyridine (CID 90941422) is 3-(2-methyl-3-nitrosobut-1-enyl)pyridine.
What is the SMILES notation for 3-(2-methyl-3-nitrosobut-1-enyl)pyridine?
The canonical SMILES for 3-(2-methyl-3-nitrosobut-1-enyl)pyridine is CC(=Cc1cccnc1)C(C)N=O.
What is the InChIKey of 3-(2-methyl-3-nitrosobut-1-enyl)pyridine?
The InChIKey is OBVFPDUSTSHFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8(9(2)12-13)6-10-4-3-5-11-7-10/h3-7,9H,1-2H3.
What are the key properties of 3-(2-methyl-3-nitrosobut-1-enyl)pyridine?
3-(2-methyl-3-nitrosobut-1-enyl)pyridine has a molecular weight of 176.22 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-nitrosobut-1-enyl)pyridine is sourced from PubChem (CID 90941422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).