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

C10H18N2O — CID 144956344

IUPAC1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea
SMILESC=C(C)N(C(=O)N(C)C)C1CCC1
InChIInChI=1S/C10H18N2O/c1-8(2)12(9-6-5-7-9)10(13)11(3)4/h9H,1,5-7H2,2-4H3
InChIKeyULXZMJANFUKBIP-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.06
Rot. Bonds2

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

1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea (PubChem CID 144956344) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea
PubChem CID144956344
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea
SMILESC=C(C)N(C(=O)N(C)C)C1CCC1
InChIInChI=1S/C10H18N2O/c1-8(2)12(9-6-5-7-9)10(13)11(3)4/h9H,1,5-7H2,2-4H3
InChIKeyULXZMJANFUKBIP-UHFFFAOYSA-N
XLogP2.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea 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

4-Methyl-1,3-di(propan-2-yl)imidazol-2-one
CID 85551232
1,3-Dibutyl-4-ethylimidazol-2-one
CID 166445280
1-Cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane
CID 144956343
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea?
The IUPAC name of 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea (CID 144956344) is 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea.
What is the SMILES notation for 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea?
The canonical SMILES for 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea is C=C(C)N(C(=O)N(C)C)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea?
The InChIKey is ULXZMJANFUKBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)12(9-6-5-7-9)10(13)11(3)4/h9H,1,5-7H2,2-4H3.
What are the key properties of 1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea?
1-cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea has a molecular weight of 182.27 g/mol, XLogP of 2.06, 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 is sourced from PubChem (CID 144956344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).