CID 118384306

C9H8KN2O2 — CID 118384306

IUPAC—
SMILESN#CNC(=O)OCc1ccccc1.[K]
InChIInChI=1S/C9H8N2O2.K/c10-7-11-9(12)13-6-8-4-2-1-3-5-8;/h1-5H,6H2,(H,11,12);
InChIKeyGGDXCKIRZBGVLE-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.01
Rot. Bonds2

About CID 118384306

CID 118384306 (PubChem CID 118384306) has the molecular formula C9H8KN2O2 and a molecular weight of 215.27 g/mol.

Molecular Properties

Compound NameCID 118384306
PubChem CID118384306
Molecular FormulaC9H8KN2O2
Molecular Weight215.27 g/mol
Exact Mass215.02
IUPAC Name—
SMILESN#CNC(=O)OCc1ccccc1.[K]
InChIInChI=1S/C9H8N2O2.K/c10-7-11-9(12)13-6-8-4-2-1-3-5-8;/h1-5H,6H2,(H,11,12);
InChIKeyGGDXCKIRZBGVLE-UHFFFAOYSA-N
XLogP1.01
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-chlorocarbamate
CID 2755304
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl N-(2-cyano-1,3-difluoropropan-2-yl)carbamate
CID 118336450
(2R)-3-cyano-2-(phenylmethoxycarbonylamino)propanoic acid
CID 12771374
cyanomethyl 2-(phenylmethoxycarbonylamino)acetate
CID 17936
benzyl N-[(1S)-1-cyanopropyl]carbamate
CID 156781711
benzyl N-(methylamino)carbamate;hydrochloride
CID 24801390
benzyl 2-cyanoacetate
CID 560818
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019

Frequently Asked Questions

What is the IUPAC name of CID 118384306?
The IUPAC name of CID 118384306 (CID 118384306) is not available.
What is the SMILES notation for CID 118384306?
The canonical SMILES for CID 118384306 is N#CNC(=O)OCc1ccccc1.[K].
What is the InChIKey of CID 118384306?
The InChIKey is GGDXCKIRZBGVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.K/c10-7-11-9(12)13-6-8-4-2-1-3-5-8;/h1-5H,6H2,(H,11,12);.
What are the key properties of CID 118384306?
CID 118384306 has a molecular weight of 215.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118384306 is sourced from PubChem (CID 118384306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).