1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane

C12H24N2O — CID 144956343

IUPAC1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane
SMILESC=C(C)N(C(=O)N(C)C)C1CCC1.CC
InChIInChI=1S/C10H18N2O.C2H6/c1-8(2)12(9-6-5-7-9)10(13)11(3)4;1-2/h9H,1,5-7H2,2-4H3;1-2H3
InChIKeyVVZFRCXMZDHPSB-UHFFFAOYSA-N
MW212.34 g/mol
LogP3.08
Rot. Bonds2

About 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane

1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane (PubChem CID 144956343) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane.

Molecular Properties

Compound Name1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane
PubChem CID144956343
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane
SMILESC=C(C)N(C(=O)N(C)C)C1CCC1.CC
InChIInChI=1S/C10H18N2O.C2H6/c1-8(2)12(9-6-5-7-9)10(13)11(3)4;1-2/h9H,1,5-7H2,2-4H3;1-2H3
InChIKeyVVZFRCXMZDHPSB-UHFFFAOYSA-N
XLogP3.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methyl-1,3-di(propan-2-yl)imidazol-2-one
CID 85551232
1,3-Dibutyl-4-ethylimidazol-2-one
CID 166445280
1-Cyclobutyl-3-prop-1-en-2-ylurea;molecular hydrogen
CID 156707696
1-Butyl-3-prop-1-en-2-yl-1-propylurea
CID 108910280
1,1-Dibutyl-3-prop-1-en-2-ylurea
CID 108910306
3-cyclobutyl-4-methyl-1H-imidazol-2-one
CID 116659027
3-Butyl-4-methyl-1-propan-2-ylimidazol-2-one
CID 121224014
1-Cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea
CID 144956344

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane?
The IUPAC name of 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane (CID 144956343) is 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane.
What is the SMILES notation for 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane?
The canonical SMILES for 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane is C=C(C)N(C(=O)N(C)C)C1CCC1.CC.
What is the InChIKey of 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane?
The InChIKey is VVZFRCXMZDHPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C2H6/c1-8(2)12(9-6-5-7-9)10(13)11(3)4;1-2/h9H,1,5-7H2,2-4H3;1-2H3.
What are the key properties of 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane?
1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane has a molecular weight of 212.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane is sourced from PubChem (CID 144956343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).