(E)-pent-2-enedial;urea

C6H10N2O3 — CID 118364474

IUPAC(E)-pent-2-enedial;urea
SMILESNC(N)=O.O=C/C=C/CC=O
InChIInChI=1S/C5H6O2.CH4N2O/c6-4-2-1-3-5-7;2-1(3)4/h1-2,4-5H,3H2;(H4,2,3,4)/b2-1+;
InChIKeyARXFINXWMLNOMZ-TYYBGVCCSA-N
MW158.16 g/mol
LogP-0.65
Rot. Bonds3

About (E)-pent-2-enedial;urea

(E)-pent-2-enedial;urea (PubChem CID 118364474) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (E)-pent-2-enedial;urea.

Molecular Properties

Compound Name(E)-pent-2-enedial;urea
PubChem CID118364474
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(E)-pent-2-enedial;urea
SMILESNC(N)=O.O=C/C=C/CC=O
InChIInChI=1S/C5H6O2.CH4N2O/c6-4-2-1-3-5-7;2-1(3)4/h1-2,4-5H,3H2;(H4,2,3,4)/b2-1+;
InChIKeyARXFINXWMLNOMZ-TYYBGVCCSA-N
XLogP-0.65
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-pent-2-enedial;urea?
The IUPAC name of (E)-pent-2-enedial;urea (CID 118364474) is (E)-pent-2-enedial;urea.
What is the SMILES notation for (E)-pent-2-enedial;urea?
The canonical SMILES for (E)-pent-2-enedial;urea is NC(N)=O.O=C/C=C/CC=O.
What is the InChIKey of (E)-pent-2-enedial;urea?
The InChIKey is ARXFINXWMLNOMZ-TYYBGVCCSA-N. The full InChI is InChI=1S/C5H6O2.CH4N2O/c6-4-2-1-3-5-7;2-1(3)4/h1-2,4-5H,3H2;(H4,2,3,4)/b2-1+;.
What are the key properties of (E)-pent-2-enedial;urea?
(E)-pent-2-enedial;urea has a molecular weight of 158.16 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-pent-2-enedial;urea is sourced from PubChem (CID 118364474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).