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

C8H14N2O2 — CID 19736139

IUPAC1-methyl-3-(4-methyl-3-oxopent-4-enyl)urea
SMILESC=C(C)C(=O)CCNC(=O)NC
InChIInChI=1S/C8H14N2O2/c1-6(2)7(11)4-5-10-8(12)9-3/h1,4-5H2,2-3H3,(H2,9,10,12)
InChIKeyMRWDYNYOPLDHRA-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.45
Rot. Bonds4

About 1-methyl-3-(4-methyl-3-oxopent-4-enyl)urea

1-methyl-3-(4-methyl-3-oxopent-4-enyl)urea (PubChem CID 19736139) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-3-oxopent-4-enyl)urea.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-3-oxopent-4-enyl)urea
PubChem CID19736139
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-methyl-3-(4-methyl-3-oxopent-4-enyl)urea
SMILESC=C(C)C(=O)CCNC(=O)NC
InChIInChI=1S/C8H14N2O2/c1-6(2)7(11)4-5-10-8(12)9-3/h1,4-5H2,2-3H3,(H2,9,10,12)
InChIKeyMRWDYNYOPLDHRA-UHFFFAOYSA-N
XLogP0.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.45
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 1-methyl-3-(4-methyl-3-oxopent-4-enyl)urea?
The IUPAC name of 1-methyl-3-(4-methyl-3-oxopent-4-enyl)urea (CID 19736139) is 1-methyl-3-(4-methyl-3-oxopent-4-enyl)urea.
What is the SMILES notation for 1-methyl-3-(4-methyl-3-oxopent-4-enyl)urea?
The canonical SMILES for 1-methyl-3-(4-methyl-3-oxopent-4-enyl)urea is C=C(C)C(=O)CCNC(=O)NC.
What is the InChIKey of 1-methyl-3-(4-methyl-3-oxopent-4-enyl)urea?
The InChIKey is MRWDYNYOPLDHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(2)7(11)4-5-10-8(12)9-3/h1,4-5H2,2-3H3,(H2,9,10,12).
What are the key properties of 1-methyl-3-(4-methyl-3-oxopent-4-enyl)urea?
1-methyl-3-(4-methyl-3-oxopent-4-enyl)urea has a molecular weight of 170.21 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methyl-3-oxopent-4-enyl)urea is sourced from PubChem (CID 19736139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).