1-ethyl-1,3-dimethyl-3-prop-2-enylurea

C8H16N2O — CID 116657053

IUPAC1-ethyl-1,3-dimethyl-3-prop-2-enylurea
SMILESC=CCN(C)C(=O)N(C)CC
InChIInChI=1S/C8H16N2O/c1-5-7-10(4)8(11)9(3)6-2/h5H,1,6-7H2,2-4H3
InChIKeyBHJQNURGKTVUHC-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.18
Rot. Bonds3

About 1-ethyl-1,3-dimethyl-3-prop-2-enylurea

1-ethyl-1,3-dimethyl-3-prop-2-enylurea (PubChem CID 116657053) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-ethyl-1,3-dimethyl-3-prop-2-enylurea.

Molecular Properties

Compound Name1-ethyl-1,3-dimethyl-3-prop-2-enylurea
PubChem CID116657053
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-ethyl-1,3-dimethyl-3-prop-2-enylurea
SMILESC=CCN(C)C(=O)N(C)CC
InChIInChI=1S/C8H16N2O/c1-5-7-10(4)8(11)9(3)6-2/h5H,1,6-7H2,2-4H3
InChIKeyBHJQNURGKTVUHC-UHFFFAOYSA-N
XLogP1.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-1,3-dimethyl-3-prop-2-enylurea 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

1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea
CID 116657097
N,N'-dimethyl-N,N'-bis(prop-2-enyl)oxamide
CID 71483404
2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 71699730
N-ethyl-N-methylbut-3-enamide
CID 23466641
2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide
CID 14248676
ethane;N-ethyl-N-methylbut-3-enamide
CID 142224309
methyl N-methyl-N-prop-2-enylcarbamate
CID 116657055
2-fluoro-N-methyl-N-prop-2-enylprop-2-enamide
CID 139381351
4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499014
1-ethyl-1-methyl-3-prop-2-enylurea
CID 115603850
ethane;prop-2-enyl N-ethyl-N-methylcarbamate
CID 142891984
propan-2-yl N-methyl-N-prop-2-enylcarbamate
CID 116657045

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3-dimethyl-3-prop-2-enylurea?
The IUPAC name of 1-ethyl-1,3-dimethyl-3-prop-2-enylurea (CID 116657053) is 1-ethyl-1,3-dimethyl-3-prop-2-enylurea.
What is the SMILES notation for 1-ethyl-1,3-dimethyl-3-prop-2-enylurea?
The canonical SMILES for 1-ethyl-1,3-dimethyl-3-prop-2-enylurea is C=CCN(C)C(=O)N(C)CC.
What is the InChIKey of 1-ethyl-1,3-dimethyl-3-prop-2-enylurea?
The InChIKey is BHJQNURGKTVUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5-7-10(4)8(11)9(3)6-2/h5H,1,6-7H2,2-4H3.
What are the key properties of 1-ethyl-1,3-dimethyl-3-prop-2-enylurea?
1-ethyl-1,3-dimethyl-3-prop-2-enylurea has a molecular weight of 156.23 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3-dimethyl-3-prop-2-enylurea is sourced from PubChem (CID 116657053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).