ethane;4-imino-1-methylimidazolidin-2-one

C6H13N3O — CID 142360748

IUPACethane;4-imino-1-methylimidazolidin-2-one
SMILESCC.[H]/N=C1\CN(C)C(=O)N1
InChIInChI=1S/C4H7N3O.C2H6/c1-7-2-3(5)6-4(7)8;1-2/h2H2,1H3,(H2,5,6,8);1-2H3
InChIKeyBFNXYNLXJUKYAW-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.64
Rot. Bonds

About ethane;4-imino-1-methylimidazolidin-2-one

ethane;4-imino-1-methylimidazolidin-2-one (PubChem CID 142360748) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is ethane;4-imino-1-methylimidazolidin-2-one.

Molecular Properties

Compound Nameethane;4-imino-1-methylimidazolidin-2-one
PubChem CID142360748
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Nameethane;4-imino-1-methylimidazolidin-2-one
SMILESCC.[H]/N=C1\CN(C)C(=O)N1
InChIInChI=1S/C4H7N3O.C2H6/c1-7-2-3(5)6-4(7)8;1-2/h2H2,1H3,(H2,5,6,8);1-2H3
InChIKeyBFNXYNLXJUKYAW-UHFFFAOYSA-N
XLogP0.64
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-imino-1-phenylimidazolidin-2-one
CID 152750114
1-methyl-4,5-dimethylidene-1,3-diazinan-2-one
CID 144546085
(4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane
CID 143228257
2-imino-1-methylimidazolidin-4-one;2-methylguanidine
CID 174723899
ethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one
CID 143776228
1-(cyclopropylmethyl)-4-imino-1,3-diazinan-2-one
CID 152748422
3,7-dimethyl-1,4-dihydropyrido[3,2-d]pyrimidin-2-one;ethane
CID 170981748
2-imino-1,5,5-trimethylimidazolidin-4-one
CID 138391490
1-acetyl-2-iminoimidazolidin-4-one
CID 138059545
5-imino-4-methyl-1-oxa-4,6-diazacyclotridecane-2,7-dione
CID 142602224
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039
4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one
CID 138388448

Frequently Asked Questions

What is the IUPAC name of ethane;4-imino-1-methylimidazolidin-2-one?
The IUPAC name of ethane;4-imino-1-methylimidazolidin-2-one (CID 142360748) is ethane;4-imino-1-methylimidazolidin-2-one.
What is the SMILES notation for ethane;4-imino-1-methylimidazolidin-2-one?
The canonical SMILES for ethane;4-imino-1-methylimidazolidin-2-one is CC.[H]/N=C1\CN(C)C(=O)N1.
What is the InChIKey of ethane;4-imino-1-methylimidazolidin-2-one?
The InChIKey is BFNXYNLXJUKYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.C2H6/c1-7-2-3(5)6-4(7)8;1-2/h2H2,1H3,(H2,5,6,8);1-2H3.
What are the key properties of ethane;4-imino-1-methylimidazolidin-2-one?
ethane;4-imino-1-methylimidazolidin-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-imino-1-methylimidazolidin-2-one is sourced from PubChem (CID 142360748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).