CID 70546334

C4H5KNO3 — CID 70546334

IUPAC—
SMILESCC1OC(=O)NC1=O.[K]
InChIInChI=1S/C4H5NO3.K/c1-2-3(6)5-4(7)8-2;/h2H,1H3,(H,5,6,7);
InChIKeyRNRPIFJRQWFFHC-UHFFFAOYSA-N
MW154.19 g/mol
LogP-0.74
Rot. Bonds

About CID 70546334

CID 70546334 (PubChem CID 70546334) has the molecular formula C4H5KNO3 and a molecular weight of 154.19 g/mol.

Molecular Properties

Compound NameCID 70546334
PubChem CID70546334
Molecular FormulaC4H5KNO3
Molecular Weight154.19 g/mol
Exact Mass153.99
IUPAC Name—
SMILESCC1OC(=O)NC1=O.[K]
InChIInChI=1S/C4H5NO3.K/c1-2-3(6)5-4(7)8-2;/h2H,1H3,(H,5,6,7);
InChIKeyRNRPIFJRQWFFHC-UHFFFAOYSA-N
XLogP-0.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen
CID 144512967
5-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione
CID 167083528
5,6-ditert-butyl-1,3-oxazinane-2,4-dione
CID 167328506
6-chloro-4-methyl-1,4-dihydro-3,1-benzoxazin-2-one
CID 166066797
(2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one
CID 94975892
5-(4-methylpentan-2-yl)-1,3-oxazolidine-2,4-dione
CID 130491226
2-methyl-6-methylsulfanyl-4H-1,4-benzoxazin-3-one
CID 82355440
sodium;5-butyl-1,3-oxazolidine-2,4-dione;hydride
CID 173208039
3,6-dimethyl-1,4-dioxane-2,5-dione
CID 7272
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 156591924
(3S,6S,9S,12S,15S,18S,21S)-3,6,9,12,15,18,21-heptamethyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane-2,5,8,11,14,17,20-heptone
CID 101423086
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6R)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 163835572

Frequently Asked Questions

What is the IUPAC name of CID 70546334?
The IUPAC name of CID 70546334 (CID 70546334) is not available.
What is the SMILES notation for CID 70546334?
The canonical SMILES for CID 70546334 is CC1OC(=O)NC1=O.[K].
What is the InChIKey of CID 70546334?
The InChIKey is RNRPIFJRQWFFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.K/c1-2-3(6)5-4(7)8-2;/h2H,1H3,(H,5,6,7);.
What are the key properties of CID 70546334?
CID 70546334 has a molecular weight of 154.19 g/mol, XLogP of -0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70546334 is sourced from PubChem (CID 70546334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).