ethane;imidazolidin-4-one

C5H12N2O — CID 144840604

IUPACethane;imidazolidin-4-one
SMILESCC.O=C1CNCN1
InChIInChI=1S/C3H6N2O.C2H6/c6-3-1-4-2-5-3;1-2/h4H,1-2H2,(H,5,6);1-2H3
InChIKeyHJLPCKCMQQPKPV-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.31
Rot. Bonds

About ethane;imidazolidin-4-one

ethane;imidazolidin-4-one (PubChem CID 144840604) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is ethane;imidazolidin-4-one.

Molecular Properties

Compound Nameethane;imidazolidin-4-one
PubChem CID144840604
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Nameethane;imidazolidin-4-one
SMILESCC.O=C1CNCN1
InChIInChI=1S/C3H6N2O.C2H6/c6-3-1-4-2-5-3;1-2/h4H,1-2H2,(H,5,6);1-2H3
InChIKeyHJLPCKCMQQPKPV-UHFFFAOYSA-N
XLogP-0.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;imidazolidin-4-one?
The IUPAC name of ethane;imidazolidin-4-one (CID 144840604) is ethane;imidazolidin-4-one.
What is the SMILES notation for ethane;imidazolidin-4-one?
The canonical SMILES for ethane;imidazolidin-4-one is CC.O=C1CNCN1.
What is the InChIKey of ethane;imidazolidin-4-one?
The InChIKey is HJLPCKCMQQPKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O.C2H6/c6-3-1-4-2-5-3;1-2/h4H,1-2H2,(H,5,6);1-2H3.
What are the key properties of ethane;imidazolidin-4-one?
ethane;imidazolidin-4-one has a molecular weight of 116.16 g/mol, XLogP of -0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;imidazolidin-4-one is sourced from PubChem (CID 144840604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).