N-(4-cyano-3-methylisochromen-1-ylidene)acetamide

C13H10N2O2 — CID 819925

IUPACN-(4-cyano-3-methylisochromen-1-ylidene)acetamide
SMILESCC(=O)/N=c1\oc(C)c(C#N)c2ccccc12
InChIInChI=1S/C13H10N2O2/c1-8-12(7-14)10-5-3-4-6-11(10)13(17-8)15-9(2)16/h3-6H,1-2H3/b15-13-
InChIKeyMBPUQAHSFIIQRP-SQFISAMPSA-N
MW226.23 g/mol
LogP2.06
Rot. Bonds

About N-(4-cyano-3-methylisochromen-1-ylidene)acetamide

N-(4-cyano-3-methylisochromen-1-ylidene)acetamide (PubChem CID 819925) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is N-(4-cyano-3-methylisochromen-1-ylidene)acetamide.

Molecular Properties

Compound NameN-(4-cyano-3-methylisochromen-1-ylidene)acetamide
PubChem CID819925
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC NameN-(4-cyano-3-methylisochromen-1-ylidene)acetamide
SMILESCC(=O)/N=c1\oc(C)c(C#N)c2ccccc12
InChIInChI=1S/C13H10N2O2/c1-8-12(7-14)10-5-3-4-6-11(10)13(17-8)15-9(2)16/h3-6H,1-2H3/b15-13-
InChIKeyMBPUQAHSFIIQRP-SQFISAMPSA-N
XLogP2.06
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4H-1,3-Oxazin-4-one, 6-methyl-2-phenyl-
CID 10589351
2-Carboxyimino-3,5-dicyano-6-phenyl-4h-pyran
CID 129707887
2-(2-Methylphenyl)-1,3-oxazin-4-one
CID 67645740
5,6-Dimethyl-2-phenyl-4H-1,3-oxazin-4-one
CID 13028434
3-methyl-1H-isochromene-4-carbonitrile
CID 15497317
N-(4,4-dimethoxynaphthalen-1-ylidene)acetamide
CID 60145068
3-Methyl-1-(2-oxoethylimino)isochromene-4-carbonitrile
CID 71776155
N-(3,6-dimethyl-2-phenylpyran-4-ylidene)acetamide
CID 86189444
N-(3-butyl-4-cyanoisochromen-1-ylidene)pentanamide
CID 101156061
[(1E,3E)-1,4-bis(2-cyanophenyl)buta-1,3-dienyl] acetate
CID 101759073
N-(2,3-dimethyl-6-phenylpyran-4-ylidene)acetamide
CID 134911510
[(E)-2-cyano-2-(2-cyanophenyl)-1-phenylethenyl] acetate
CID 168013766

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-3-methylisochromen-1-ylidene)acetamide?
The IUPAC name of N-(4-cyano-3-methylisochromen-1-ylidene)acetamide (CID 819925) is N-(4-cyano-3-methylisochromen-1-ylidene)acetamide.
What is the SMILES notation for N-(4-cyano-3-methylisochromen-1-ylidene)acetamide?
The canonical SMILES for N-(4-cyano-3-methylisochromen-1-ylidene)acetamide is CC(=O)/N=c1\oc(C)c(C#N)c2ccccc12.
What is the InChIKey of N-(4-cyano-3-methylisochromen-1-ylidene)acetamide?
The InChIKey is MBPUQAHSFIIQRP-SQFISAMPSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-8-12(7-14)10-5-3-4-6-11(10)13(17-8)15-9(2)16/h3-6H,1-2H3/b15-13-.
What are the key properties of N-(4-cyano-3-methylisochromen-1-ylidene)acetamide?
N-(4-cyano-3-methylisochromen-1-ylidene)acetamide has a molecular weight of 226.23 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-3-methylisochromen-1-ylidene)acetamide is sourced from PubChem (CID 819925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).