ethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen

C6H13NO3 — CID 144512967

IUPACethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen
SMILESCC.CC1OC(=O)NC1=O.[H][H]
InChIInChI=1S/C4H5NO3.C2H6.H2/c1-2-3(6)5-4(7)8-2;1-2;/h2H,1H3,(H,5,6,7);1-2H3;1H
InChIKeyTYDIDJQLHYWEKD-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.91
Rot. Bonds

About ethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen

ethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen (PubChem CID 144512967) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is ethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen.

Molecular Properties

Compound Nameethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen
PubChem CID144512967
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Nameethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen
SMILESCC.CC1OC(=O)NC1=O.[H][H]
InChIInChI=1S/C4H5NO3.C2H6.H2/c1-2-3(6)5-4(7)8-2;1-2;/h2H,1H3,(H,5,6,7);1-2H3;1H
InChIKeyTYDIDJQLHYWEKD-UHFFFAOYSA-N
XLogP0.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 70546334
CID 70546334
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-bromo-7,8-dichloro-2-methyl-4H-1,4-benzoxazin-3-one
CID 82234325
5-(4-amino-2,4-dimethylpentan-2-yl)-1,3-oxazolidine-2,4-dione;ethane
CID 171621159
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopropanecarboxamide
CID 9146242
6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82216201
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
6-(bromomethyl)-5-fluoro-2-methyl-4H-1,4-benzoxazin-3-one
CID 177369859
2-methyl-6-methylsulfanyl-4H-1,4-benzoxazin-3-one
CID 82355440

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen?
The IUPAC name of ethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen (CID 144512967) is ethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen.
What is the SMILES notation for ethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen?
The canonical SMILES for ethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen is CC.CC1OC(=O)NC1=O.[H][H].
What is the InChIKey of ethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen?
The InChIKey is TYDIDJQLHYWEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.C2H6.H2/c1-2-3(6)5-4(7)8-2;1-2;/h2H,1H3,(H,5,6,7);1-2H3;1H.
What are the key properties of ethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen?
ethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen has a molecular weight of 147.17 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen is sourced from PubChem (CID 144512967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).