(3-hydroxyphenyl) N-(cyanomethyl)carbamate

C9H8N2O3 — CID 112708821

IUPAC(3-hydroxyphenyl) N-(cyanomethyl)carbamate
SMILESN#CCNC(=O)Oc1cccc(O)c1
InChIInChI=1S/C9H8N2O3/c10-4-5-11-9(13)14-8-3-1-2-7(12)6-8/h1-3,6,12H,5H2,(H,11,13)
InChIKeyIGNDZBXVLQXOGI-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.00
Rot. Bonds2

About (3-hydroxyphenyl) N-(cyanomethyl)carbamate

(3-hydroxyphenyl) N-(cyanomethyl)carbamate (PubChem CID 112708821) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is (3-hydroxyphenyl) N-(cyanomethyl)carbamate.

Molecular Properties

Compound Name(3-hydroxyphenyl) N-(cyanomethyl)carbamate
PubChem CID112708821
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name(3-hydroxyphenyl) N-(cyanomethyl)carbamate
SMILESN#CCNC(=O)Oc1cccc(O)c1
InChIInChI=1S/C9H8N2O3/c10-4-5-11-9(13)14-8-3-1-2-7(12)6-8/h1-3,6,12H,5H2,(H,11,13)
InChIKeyIGNDZBXVLQXOGI-UHFFFAOYSA-N
XLogP1.00
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dichlorophenyl) N-(cyanomethyl)carbamate
CID 116819787
(2,6-dimethylphenyl) N-(cyanomethyl)carbamate
CID 112709050
(3-hydroxyphenyl) 2-oxopropanoate
CID 22361380
CID 157452976
CID 157452976
[3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537519
[3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate
CID 59364471
(3-hydroxyphenyl) 2-oxoacetate
CID 174444543
bis(3-hydroxyphenyl) decanedioate;bis(3-hydroxyphenyl) hexanedioate
CID 66808075
(3-hydroxyphenyl) pentanoate
CID 68903948
bis(3-hydroxyphenyl) 2,3-dihydroxybutanedioate
CID 66768995
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
N-(cyanomethyl)-2-(3-hydroxy-5-methylphenoxy)acetamide
CID 107679875

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl) N-(cyanomethyl)carbamate?
The IUPAC name of (3-hydroxyphenyl) N-(cyanomethyl)carbamate (CID 112708821) is (3-hydroxyphenyl) N-(cyanomethyl)carbamate.
What is the SMILES notation for (3-hydroxyphenyl) N-(cyanomethyl)carbamate?
The canonical SMILES for (3-hydroxyphenyl) N-(cyanomethyl)carbamate is N#CCNC(=O)Oc1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenyl) N-(cyanomethyl)carbamate?
The InChIKey is IGNDZBXVLQXOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c10-4-5-11-9(13)14-8-3-1-2-7(12)6-8/h1-3,6,12H,5H2,(H,11,13).
What are the key properties of (3-hydroxyphenyl) N-(cyanomethyl)carbamate?
(3-hydroxyphenyl) N-(cyanomethyl)carbamate has a molecular weight of 192.17 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl) N-(cyanomethyl)carbamate is sourced from PubChem (CID 112708821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).