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

C10H18N2O — CID 116657097

IUPAC1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea
SMILESC=CCN(C(=O)N(C)CC)C1CC1
InChIInChI=1S/C10H18N2O/c1-4-8-12(9-6-7-9)10(13)11(3)5-2/h4,9H,1,5-8H2,2-3H3
InChIKeyJWYQCCPVESCTIH-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.71
Rot. Bonds4

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

1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea (PubChem CID 116657097) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea
PubChem CID116657097
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea
SMILESC=CCN(C(=O)N(C)CC)C1CC1
InChIInChI=1S/C10H18N2O/c1-4-8-12(9-6-7-9)10(13)11(3)5-2/h4,9H,1,5-8H2,2-3H3
InChIKeyJWYQCCPVESCTIH-UHFFFAOYSA-N
XLogP1.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1,3-dimethyl-3-prop-2-enylurea
CID 116657053
1-cyclopropyl-3-ethyl-1,3-dimethylurea
CID 116654142
1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-4-ylmethyl)urea
CID 79716976
1-cyclobutyl-3-ethyl-1-(2-hydroxyethyl)-3-methylurea
CID 102861332
1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629707
N-cyclopropyl-N-ethylprop-2-enamide
CID 43616584
1-cyclopropyl-3-propan-2-yl-1-prop-2-enylurea
CID 115886800
2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276905
1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea
CID 116656765
2-[cyclopropyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116537389
N-cyclopropyl-2-(2-methoxyethoxy)-N-prop-2-enylacetamide
CID 103896956
2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide
CID 79814024

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea?
The IUPAC name of 1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea (CID 116657097) is 1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea?
The canonical SMILES for 1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea is C=CCN(C(=O)N(C)CC)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea?
The InChIKey is JWYQCCPVESCTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-8-12(9-6-7-9)10(13)11(3)5-2/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea?
1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea has a molecular weight of 182.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea is sourced from PubChem (CID 116657097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).