1-ethyl-1-methyl-3-prop-2-enylurea

C7H14N2O — CID 115603850

IUPAC1-ethyl-1-methyl-3-prop-2-enylurea
SMILESC=CCNC(=O)N(C)CC
InChIInChI=1S/C7H14N2O/c1-4-6-8-7(10)9(3)5-2/h4H,1,5-6H2,2-3H3,(H,8,10)
InChIKeyRSVICVBICARLKV-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.83
Rot. Bonds3

About 1-ethyl-1-methyl-3-prop-2-enylurea

1-ethyl-1-methyl-3-prop-2-enylurea (PubChem CID 115603850) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-prop-2-enylurea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-prop-2-enylurea
PubChem CID115603850
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-ethyl-1-methyl-3-prop-2-enylurea
SMILESC=CCNC(=O)N(C)CC
InChIInChI=1S/C7H14N2O/c1-4-6-8-7(10)9(3)5-2/h4H,1,5-6H2,2-3H3,(H,8,10)
InChIKeyRSVICVBICARLKV-UHFFFAOYSA-N
XLogP0.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea
CID 71940977
1,3-diethyl-1-methylurea;molecular hydrogen
CID 142235492
1-pentyl-3-prop-2-enyl-1-sulfanylurea
CID 88764392
1-[(2S)-3,3-dimethylbutan-2-yl]-1-methyl-3-prop-2-enylurea
CID 95351070
1-ethenyl-1,3-bis(prop-2-enyl)urea
CID 174961911
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea
CID 86912586
N-ethyl-N-methylbut-3-enamide
CID 23466641
ethane;prop-2-enyl N-ethyl-N-methylcarbamate
CID 142891984
N-ethyl-2-[ethyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetamide
CID 78795286
3-amino-1-ethyl-1-methylurea
CID 43263702
3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea
CID 79159558
1-ethyl-1,3-dimethyl-3-prop-2-enylurea
CID 116657053

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-prop-2-enylurea?
The IUPAC name of 1-ethyl-1-methyl-3-prop-2-enylurea (CID 115603850) is 1-ethyl-1-methyl-3-prop-2-enylurea.
What is the SMILES notation for 1-ethyl-1-methyl-3-prop-2-enylurea?
The canonical SMILES for 1-ethyl-1-methyl-3-prop-2-enylurea is C=CCNC(=O)N(C)CC.
What is the InChIKey of 1-ethyl-1-methyl-3-prop-2-enylurea?
The InChIKey is RSVICVBICARLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-6-8-7(10)9(3)5-2/h4H,1,5-6H2,2-3H3,(H,8,10).
What are the key properties of 1-ethyl-1-methyl-3-prop-2-enylurea?
1-ethyl-1-methyl-3-prop-2-enylurea has a molecular weight of 142.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-prop-2-enylurea is sourced from PubChem (CID 115603850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).