ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one

C7H16N2O2 — CID 170608937

IUPACethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one
SMILESCC.CN1CC(CO)NC1=O
InChIInChI=1S/C5H10N2O2.C2H6/c1-7-2-4(3-8)6-5(7)9;1-2/h4,8H,2-3H2,1H3,(H,6,9);1-2H3
InChIKeyAVBYEJMYADABAW-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.03
Rot. Bonds1

About ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one

ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one (PubChem CID 170608937) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one.

Molecular Properties

Compound Nameethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one
PubChem CID170608937
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Nameethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one
SMILESCC.CN1CC(CO)NC1=O
InChIInChI=1S/C5H10N2O2.C2H6/c1-7-2-4(3-8)6-5(7)9;1-2/h4,8H,2-3H2,1H3,(H,6,9);1-2H3
InChIKeyAVBYEJMYADABAW-UHFFFAOYSA-N
XLogP0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(hydroxymethyl)-4-(3-hydroxypropyl)piperazin-2-one
CID 68639671
4-(hydroxymethyl)-1-[(1R)-1-phenylethyl]imidazolidin-2-one
CID 66713277
(4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 22823002
ethane;6-(hydroxymethyl)piperazin-2-one
CID 170608951
3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane
CID 143764227
(5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione
CID 58093274
4-cycloheptyl-6-(hydroxymethyl)piperazin-2-one
CID 117026734
1-(3-hydroxypropyl)-4-propylimidazolidin-2-one
CID 116979406
4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one
CID 117026747
(3R,5S)-3-ethyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 51401118
6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one
CID 117026726
3-(cyclopropylmethyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one
CID 118454198

Frequently Asked Questions

What is the IUPAC name of ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one?
The IUPAC name of ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one (CID 170608937) is ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one.
What is the SMILES notation for ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one?
The canonical SMILES for ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one is CC.CN1CC(CO)NC1=O.
What is the InChIKey of ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one?
The InChIKey is AVBYEJMYADABAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2.C2H6/c1-7-2-4(3-8)6-5(7)9;1-2/h4,8H,2-3H2,1H3,(H,6,9);1-2H3.
What are the key properties of ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one?
ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one has a molecular weight of 160.22 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one is sourced from PubChem (CID 170608937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).