1,3-bis(hydroxymethyl)imidazolidin-2-one;but-2-ene-1,4-diol;urea

C10H22N4O6 — CID 159160491

IUPAC1,3-bis(hydroxymethyl)imidazolidin-2-one;but-2-ene-1,4-diol;urea
SMILESNC(N)=O.O=C1N(CO)CCN1CO.OCC=CCO
InChIInChI=1S/C5H10N2O3.C4H8O2.CH4N2O/c8-3-6-1-2-7(4-9)5(6)10;5-3-1-2-4-6;2-1(3)4/h8-9H,1-4H2;1-2,5-6H,3-4H2;(H4,2,3,4)
InChIKeyKKKRXZCBFTZSHM-UHFFFAOYSA-N
MW294.31 g/mol
LogP-2.83
Rot. Bonds4

About 1,3-bis(hydroxymethyl)imidazolidin-2-one;but-2-ene-1,4-diol;urea

1,3-bis(hydroxymethyl)imidazolidin-2-one;but-2-ene-1,4-diol;urea (PubChem CID 159160491) has the molecular formula C10H22N4O6 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1,3-bis(hydroxymethyl)imidazolidin-2-one;but-2-ene-1,4-diol;urea.

Molecular Properties

Compound Name1,3-bis(hydroxymethyl)imidazolidin-2-one;but-2-ene-1,4-diol;urea
PubChem CID159160491
Molecular FormulaC10H22N4O6
Molecular Weight294.31 g/mol
Exact Mass294.15
IUPAC Name1,3-bis(hydroxymethyl)imidazolidin-2-one;but-2-ene-1,4-diol;urea
SMILESNC(N)=O.O=C1N(CO)CCN1CO.OCC=CCO
InChIInChI=1S/C5H10N2O3.C4H8O2.CH4N2O/c8-3-6-1-2-7(4-9)5(6)10;5-3-1-2-4-6;2-1(3)4/h8-9H,1-4H2;1-2,5-6H,3-4H2;(H4,2,3,4)
InChIKeyKKKRXZCBFTZSHM-UHFFFAOYSA-N
XLogP-2.83
TPSA173.58 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.31
LogP ≤ 5-2.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(hydroxymethyl)imidazolidin-2-one;but-2-ene-1,4-diol;urea?
The IUPAC name of 1,3-bis(hydroxymethyl)imidazolidin-2-one;but-2-ene-1,4-diol;urea (CID 159160491) is 1,3-bis(hydroxymethyl)imidazolidin-2-one;but-2-ene-1,4-diol;urea.
What is the SMILES notation for 1,3-bis(hydroxymethyl)imidazolidin-2-one;but-2-ene-1,4-diol;urea?
The canonical SMILES for 1,3-bis(hydroxymethyl)imidazolidin-2-one;but-2-ene-1,4-diol;urea is NC(N)=O.O=C1N(CO)CCN1CO.OCC=CCO.
What is the InChIKey of 1,3-bis(hydroxymethyl)imidazolidin-2-one;but-2-ene-1,4-diol;urea?
The InChIKey is KKKRXZCBFTZSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3.C4H8O2.CH4N2O/c8-3-6-1-2-7(4-9)5(6)10;5-3-1-2-4-6;2-1(3)4/h8-9H,1-4H2;1-2,5-6H,3-4H2;(H4,2,3,4).
What are the key properties of 1,3-bis(hydroxymethyl)imidazolidin-2-one;but-2-ene-1,4-diol;urea?
1,3-bis(hydroxymethyl)imidazolidin-2-one;but-2-ene-1,4-diol;urea has a molecular weight of 294.31 g/mol, XLogP of -2.83, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(hydroxymethyl)imidazolidin-2-one;but-2-ene-1,4-diol;urea is sourced from PubChem (CID 159160491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).