2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile

C11H10N4O — CID 169337771

IUPAC2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile
SMILESCc1c(CO)cccc1NN=C(C#N)C#N
InChIInChI=1S/C11H10N4O/c1-8-9(7-16)3-2-4-11(8)15-14-10(5-12)6-13/h2-4,15-16H,7H2,1H3
InChIKeyRNCHWZWWMBIGSJ-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.30
Rot. Bonds3

About 2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile

2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile (PubChem CID 169337771) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile
PubChem CID169337771
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile
SMILESCc1c(CO)cccc1NN=C(C#N)C#N
InChIInChI=1S/C11H10N4O/c1-8-9(7-16)3-2-4-11(8)15-14-10(5-12)6-13/h2-4,15-16H,7H2,1H3
InChIKeyRNCHWZWWMBIGSJ-UHFFFAOYSA-N
XLogP1.30
TPSA92.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341724
3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide
CID 169337914
2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile
CID 169337941
2-[[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339854
2-[2-(dicyanomethylidene)hydrazinyl]-6-methylbenzoic acid
CID 169337524
2-[(2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 4229918
2-[(2-bromophenyl)hydrazinylidene]propanedinitrile
CID 779795
2-[(2,3-dimethyl-1-oxoisoquinolin-5-yl)hydrazinylidene]propanedinitrile
CID 166903577
2-[[3-(1H-benzimidazol-2-yl)-2-methylphenyl]hydrazinylidene]propanedinitrile
CID 169340538
2-[[2-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338443
2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile
CID 169342072
2-[(1-methylbenzotriazol-4-yl)hydrazinylidene]propanedinitrile
CID 169338863

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile (CID 169337771) is 2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile is Cc1c(CO)cccc1NN=C(C#N)C#N.
What is the InChIKey of 2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile?
The InChIKey is RNCHWZWWMBIGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-8-9(7-16)3-2-4-11(8)15-14-10(5-12)6-13/h2-4,15-16H,7H2,1H3.
What are the key properties of 2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile?
2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile has a molecular weight of 214.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169337771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).