1,1-dimethyl-3-(oxolan-3-yl)urea

C7H14N2O2 — CID 110868817

IUPAC1,1-dimethyl-3-(oxolan-3-yl)urea
SMILESCN(C)C(=O)NC1CCOC1
InChIInChI=1S/C7H14N2O2/c1-9(2)7(10)8-6-3-4-11-5-6/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyKPZRSUMRZCAPMM-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.05
Rot. Bonds1

About 1,1-dimethyl-3-(oxolan-3-yl)urea

1,1-dimethyl-3-(oxolan-3-yl)urea (PubChem CID 110868817) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1,1-dimethyl-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(oxolan-3-yl)urea
PubChem CID110868817
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1,1-dimethyl-3-(oxolan-3-yl)urea
SMILESCN(C)C(=O)NC1CCOC1
InChIInChI=1S/C7H14N2O2/c1-9(2)7(10)8-6-3-4-11-5-6/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyKPZRSUMRZCAPMM-UHFFFAOYSA-N
XLogP0.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-dimethyl-3-(oxolan-3-yl)urea 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-1-methyl-3-(oxolan-3-yl)urea
CID 115760744
1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea
CID 115760727
1-cyclopropyl-1-ethyl-3-(oxolan-3-yl)urea
CID 115760678
1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea
CID 115760645
1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea
CID 116654204
1-benzyl-1-methyl-3-(oxolan-3-yl)urea
CID 115759352
2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 58469645
1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea
CID 116654988
3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
CID 63361423
2-oxo-N-[(3S)-oxolan-3-yl]acetamide
CID 139551845
1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222
N,N-dimethyl-3-(oxolan-3-ylamino)propanamide
CID 63335526

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(oxolan-3-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(oxolan-3-yl)urea (CID 110868817) is 1,1-dimethyl-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(oxolan-3-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(oxolan-3-yl)urea is CN(C)C(=O)NC1CCOC1.
What is the InChIKey of 1,1-dimethyl-3-(oxolan-3-yl)urea?
The InChIKey is KPZRSUMRZCAPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-9(2)7(10)8-6-3-4-11-5-6/h6H,3-5H2,1-2H3,(H,8,10).
What are the key properties of 1,1-dimethyl-3-(oxolan-3-yl)urea?
1,1-dimethyl-3-(oxolan-3-yl)urea has a molecular weight of 158.20 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(oxolan-3-yl)urea is sourced from PubChem (CID 110868817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).