3-ethylidene-1-methyl-1-(2-prop-1-enoxyethyl)urea

C9H16N2O2 — CID 141297663

IUPAC3-ethylidene-1-methyl-1-(2-prop-1-enoxyethyl)urea
SMILESCC=COCCN(C)C(=O)N=CC
InChIInChI=1S/C9H16N2O2/c1-4-7-13-8-6-11(3)9(12)10-5-2/h4-5,7H,6,8H2,1-3H3
InChIKeyOOSJVGYTLGAIMY-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.68
Rot. Bonds4

About 3-ethylidene-1-methyl-1-(2-prop-1-enoxyethyl)urea

3-ethylidene-1-methyl-1-(2-prop-1-enoxyethyl)urea (PubChem CID 141297663) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-ethylidene-1-methyl-1-(2-prop-1-enoxyethyl)urea.

Molecular Properties

Compound Name3-ethylidene-1-methyl-1-(2-prop-1-enoxyethyl)urea
PubChem CID141297663
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-ethylidene-1-methyl-1-(2-prop-1-enoxyethyl)urea
SMILESCC=COCCN(C)C(=O)N=CC
InChIInChI=1S/C9H16N2O2/c1-4-7-13-8-6-11(3)9(12)10-5-2/h4-5,7H,6,8H2,1-3H3
InChIKeyOOSJVGYTLGAIMY-UHFFFAOYSA-N
XLogP1.68
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-ethylidene-1-methyl-1-(2-prop-1-enoxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate
CID 141109880
4-prop-1-enoxybutan-2-one
CID 71435661
N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide
CID 141007643
3-prop-1-enoxypropanoic acid
CID 140976300
acetic acid;1-(2-methoxyethoxy)prop-1-ene
CID 118619515
1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane
CID 131862355
1-amino-1-ethyl-3-ethylideneurea
CID 151956805
1,10-bis(prop-1-enoxy)decane
CID 54271291
(Z)-N-ethyl-N-methylbut-2-enamide
CID 90437080
(E)-N-ethyl-N-methylbut-2-enamide
CID 88882032
bis(2-prop-1-enoxyethyl) 2-methylidenebutanedioate
CID 87920917
1-ethenyl-1-ethyl-3-ethylideneurea
CID 141081531

Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-1-methyl-1-(2-prop-1-enoxyethyl)urea?
The IUPAC name of 3-ethylidene-1-methyl-1-(2-prop-1-enoxyethyl)urea (CID 141297663) is 3-ethylidene-1-methyl-1-(2-prop-1-enoxyethyl)urea.
What is the SMILES notation for 3-ethylidene-1-methyl-1-(2-prop-1-enoxyethyl)urea?
The canonical SMILES for 3-ethylidene-1-methyl-1-(2-prop-1-enoxyethyl)urea is CC=COCCN(C)C(=O)N=CC.
What is the InChIKey of 3-ethylidene-1-methyl-1-(2-prop-1-enoxyethyl)urea?
The InChIKey is OOSJVGYTLGAIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-7-13-8-6-11(3)9(12)10-5-2/h4-5,7H,6,8H2,1-3H3.
What are the key properties of 3-ethylidene-1-methyl-1-(2-prop-1-enoxyethyl)urea?
3-ethylidene-1-methyl-1-(2-prop-1-enoxyethyl)urea has a molecular weight of 184.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-1-methyl-1-(2-prop-1-enoxyethyl)urea is sourced from PubChem (CID 141297663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).