[4-(dimethylamino)phenyl] cyanate

C9H10N2O — CID 143832425

IUPAC[4-(dimethylamino)phenyl] cyanate
SMILESCN(C)c1ccc(OC#N)cc1
InChIInChI=1S/C9H10N2O/c1-11(2)8-3-5-9(6-4-8)12-7-10/h3-6H,1-2H3
InChIKeyNGDUMKVLBZEFHC-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.61
Rot. Bonds2

About [4-(dimethylamino)phenyl] cyanate

[4-(dimethylamino)phenyl] cyanate (PubChem CID 143832425) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl] cyanate.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl] cyanate
PubChem CID143832425
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name[4-(dimethylamino)phenyl] cyanate
SMILESCN(C)c1ccc(OC#N)cc1
InChIInChI=1S/C9H10N2O/c1-11(2)8-3-5-9(6-4-8)12-7-10/h3-6H,1-2H3
InChIKeyNGDUMKVLBZEFHC-UHFFFAOYSA-N
XLogP1.61
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

2,2-bis[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)acetonitrile
CID 100984975
O-[4-(dimethylamino)phenyl]hydroxylamine
CID 54014409
N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline
CID 159991714
4-ethoxy-N,N-dimethylaniline
CID 3624890
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
[4-(dimethylamino)phenyl] formate
CID 54158989
methane;phenyl cyanate;propane
CID 158347144
[4-[amino-(4-cyanatophenyl)methyl]phenyl] cyanate
CID 67743158
2,2-bis[4-(dimethylamino)phenyl]acetonitrile
CID 12561421
[4-[3-(4-cyanatophenyl)propyl]phenyl] cyanate
CID 23051751
methyl 4-cyanatobenzoate
CID 54315897
3-[4-(dimethylamino)-N-methylanilino]-2-methylpropanenitrile
CID 82113965

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl] cyanate?
The IUPAC name of [4-(dimethylamino)phenyl] cyanate (CID 143832425) is [4-(dimethylamino)phenyl] cyanate.
What is the SMILES notation for [4-(dimethylamino)phenyl] cyanate?
The canonical SMILES for [4-(dimethylamino)phenyl] cyanate is CN(C)c1ccc(OC#N)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl] cyanate?
The InChIKey is NGDUMKVLBZEFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-11(2)8-3-5-9(6-4-8)12-7-10/h3-6H,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl] cyanate?
[4-(dimethylamino)phenyl] cyanate has a molecular weight of 162.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl] cyanate is sourced from PubChem (CID 143832425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).