aniline;2-hydroxyacetonitrile

C8H10N2O — CID 158486544

IUPACaniline;2-hydroxyacetonitrile
SMILESN#CCO.Nc1ccccc1
InChIInChI=1S/C6H7N.C2H3NO/c7-6-4-2-1-3-5-6;3-1-2-4/h1-5H,7H2;4H,2H2
InChIKeyHIDZRCJMRDZXQS-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.77
Rot. Bonds

About aniline;2-hydroxyacetonitrile

aniline;2-hydroxyacetonitrile (PubChem CID 158486544) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is aniline;2-hydroxyacetonitrile.

Molecular Properties

Compound Nameaniline;2-hydroxyacetonitrile
PubChem CID158486544
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Nameaniline;2-hydroxyacetonitrile
SMILESN#CCO.Nc1ccccc1
InChIInChI=1S/C6H7N.C2H3NO/c7-6-4-2-1-3-5-6;3-1-2-4/h1-5H,7H2;4H,2H2
InChIKeyHIDZRCJMRDZXQS-UHFFFAOYSA-N
XLogP0.77
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Dihydroxyoxidostibino)benzenamine
CID 11135
Ethanol, 2-amino-, compd. with N-hydroxy-N-nitrosobenzenamine (1:1)
CID 136219648
2-(4-Aminophenyl)selanylacetonitrile
CID 155516428
3-(4-Aminophenyl)selanylpropanenitrile
CID 155527012
Aniline;formaldehyde
CID 91335
Aniline--water (1/1)
CID 13000445
CID 14046727
CID 14046727
(2R)-2-anilinooxypropan-1-ol
CID 11252218
N-ethoxyaniline
CID 11332504
Allyl oxyaniline
CID 12032613
1,1,1-Triethoxy-N-phenylsilanamine
CID 12432673
p-Phenylenediamine-glycerol
CID 18780450

Frequently Asked Questions

What is the IUPAC name of aniline;2-hydroxyacetonitrile?
The IUPAC name of aniline;2-hydroxyacetonitrile (CID 158486544) is aniline;2-hydroxyacetonitrile.
What is the SMILES notation for aniline;2-hydroxyacetonitrile?
The canonical SMILES for aniline;2-hydroxyacetonitrile is N#CCO.Nc1ccccc1.
What is the InChIKey of aniline;2-hydroxyacetonitrile?
The InChIKey is HIDZRCJMRDZXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C2H3NO/c7-6-4-2-1-3-5-6;3-1-2-4/h1-5H,7H2;4H,2H2.
What are the key properties of aniline;2-hydroxyacetonitrile?
aniline;2-hydroxyacetonitrile has a molecular weight of 150.18 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;2-hydroxyacetonitrile is sourced from PubChem (CID 158486544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).