(4-methyl-3-oxopent-4-en-2-ylidene)urea

C7H10N2O2 — CID 57027379

IUPAC(4-methyl-3-oxopent-4-en-2-ylidene)urea
SMILESC=C(C)C(=O)C(C)=NC(N)=O
InChIInChI=1S/C7H10N2O2/c1-4(2)6(10)5(3)9-7(8)11/h1H2,2-3H3,(H2,8,11)
InChIKeyDTADEEXJVWFWEA-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.67
Rot. Bonds2

About (4-methyl-3-oxopent-4-en-2-ylidene)urea

(4-methyl-3-oxopent-4-en-2-ylidene)urea (PubChem CID 57027379) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (4-methyl-3-oxopent-4-en-2-ylidene)urea.

Molecular Properties

Compound Name(4-methyl-3-oxopent-4-en-2-ylidene)urea
PubChem CID57027379
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(4-methyl-3-oxopent-4-en-2-ylidene)urea
SMILESC=C(C)C(=O)C(C)=NC(N)=O
InChIInChI=1S/C7H10N2O2/c1-4(2)6(10)5(3)9-7(8)11/h1H2,2-3H3,(H2,8,11)
InChIKeyDTADEEXJVWFWEA-UHFFFAOYSA-N
XLogP0.67
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-3-oxopent-4-en-2-ylidene)formamide
CID 123791545
(E)-[(E)-4-methyl-3-oxohex-4-en-2-ylidene]urea
CID 141038526
(3E)-1-methyl-3-(4-methyl-3-oxopent-4-en-2-ylidene)urea
CID 141038531
(Z)-(2,7-dimethyl-3,6-dioxoocta-1,7-dien-4-ylidene)urea
CID 141038558

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-oxopent-4-en-2-ylidene)urea?
The IUPAC name of (4-methyl-3-oxopent-4-en-2-ylidene)urea (CID 57027379) is (4-methyl-3-oxopent-4-en-2-ylidene)urea.
What is the SMILES notation for (4-methyl-3-oxopent-4-en-2-ylidene)urea?
The canonical SMILES for (4-methyl-3-oxopent-4-en-2-ylidene)urea is C=C(C)C(=O)C(C)=NC(N)=O.
What is the InChIKey of (4-methyl-3-oxopent-4-en-2-ylidene)urea?
The InChIKey is DTADEEXJVWFWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4(2)6(10)5(3)9-7(8)11/h1H2,2-3H3,(H2,8,11).
What are the key properties of (4-methyl-3-oxopent-4-en-2-ylidene)urea?
(4-methyl-3-oxopent-4-en-2-ylidene)urea has a molecular weight of 154.17 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-oxopent-4-en-2-ylidene)urea is sourced from PubChem (CID 57027379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).