3-cyclopropyl-1,1-dimethylurea

C6H12N2O — CID 23013949

IUPAC3-cyclopropyl-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CC1
InChIInChI=1S/C6H12N2O/c1-8(2)6(9)7-5-3-4-5/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyCWDXSDLAJBBUSO-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.42
Rot. Bonds1

About 3-cyclopropyl-1,1-dimethylurea

3-cyclopropyl-1,1-dimethylurea (PubChem CID 23013949) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-cyclopropyl-1,1-dimethylurea.

Molecular Properties

Compound Name3-cyclopropyl-1,1-dimethylurea
PubChem CID23013949
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name3-cyclopropyl-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CC1
InChIInChI=1S/C6H12N2O/c1-8(2)6(9)7-5-3-4-5/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyCWDXSDLAJBBUSO-UHFFFAOYSA-N
XLogP0.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1,1-dimethylurea?
The IUPAC name of 3-cyclopropyl-1,1-dimethylurea (CID 23013949) is 3-cyclopropyl-1,1-dimethylurea.
What is the SMILES notation for 3-cyclopropyl-1,1-dimethylurea?
The canonical SMILES for 3-cyclopropyl-1,1-dimethylurea is CN(C)C(=O)NC1CC1.
What is the InChIKey of 3-cyclopropyl-1,1-dimethylurea?
The InChIKey is CWDXSDLAJBBUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-8(2)6(9)7-5-3-4-5/h5H,3-4H2,1-2H3,(H,7,9).
What are the key properties of 3-cyclopropyl-1,1-dimethylurea?
3-cyclopropyl-1,1-dimethylurea has a molecular weight of 128.17 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1,1-dimethylurea is sourced from PubChem (CID 23013949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).