(4-methyl-3-oxopent-4-enyl)urea

C7H12N2O2 — CID 22406173

IUPAC(4-methyl-3-oxopent-4-enyl)urea
SMILESC=C(C)C(=O)CCNC(N)=O
InChIInChI=1S/C7H12N2O2/c1-5(2)6(10)3-4-9-7(8)11/h1,3-4H2,2H3,(H3,8,9,11)
InChIKeyFCPUDUITPLXXRK-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.19
Rot. Bonds4

About (4-methyl-3-oxopent-4-enyl)urea

(4-methyl-3-oxopent-4-enyl)urea (PubChem CID 22406173) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (4-methyl-3-oxopent-4-enyl)urea.

Molecular Properties

Compound Name(4-methyl-3-oxopent-4-enyl)urea
PubChem CID22406173
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name(4-methyl-3-oxopent-4-enyl)urea
SMILESC=C(C)C(=O)CCNC(N)=O
InChIInChI=1S/C7H12N2O2/c1-5(2)6(10)3-4-9-7(8)11/h1,3-4H2,2H3,(H3,8,9,11)
InChIKeyFCPUDUITPLXXRK-UHFFFAOYSA-N
XLogP0.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-oxopent-4-enyl)urea?
The IUPAC name of (4-methyl-3-oxopent-4-enyl)urea (CID 22406173) is (4-methyl-3-oxopent-4-enyl)urea.
What is the SMILES notation for (4-methyl-3-oxopent-4-enyl)urea?
The canonical SMILES for (4-methyl-3-oxopent-4-enyl)urea is C=C(C)C(=O)CCNC(N)=O.
What is the InChIKey of (4-methyl-3-oxopent-4-enyl)urea?
The InChIKey is FCPUDUITPLXXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(2)6(10)3-4-9-7(8)11/h1,3-4H2,2H3,(H3,8,9,11).
What are the key properties of (4-methyl-3-oxopent-4-enyl)urea?
(4-methyl-3-oxopent-4-enyl)urea has a molecular weight of 156.18 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-oxopent-4-enyl)urea is sourced from PubChem (CID 22406173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).