1-cyclopropylethylurea

C6H12N2O — CID 5069854

IUPAC1-cyclopropylethylurea
SMILESCC(NC(N)=O)C1CC1
InChIInChI=1S/C6H12N2O/c1-4(5-2-3-5)8-6(7)9/h4-5H,2-3H2,1H3,(H3,7,8,9)
InChIKeyALVRDJSKGZLKAF-UHFFFAOYSA-N
MW128.18 g/mol
LogP0.45
Rot. Bonds2

About 1-cyclopropylethylurea

1-cyclopropylethylurea (PubChem CID 5069854) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 1-cyclopropylethylurea.

Molecular Properties

Compound Name1-cyclopropylethylurea
PubChem CID5069854
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name1-cyclopropylethylurea
SMILESCC(NC(N)=O)C1CC1
InChIInChI=1S/C6H12N2O/c1-4(5-2-3-5)8-6(7)9/h4-5H,2-3H2,1H3,(H3,7,8,9)
InChIKeyALVRDJSKGZLKAF-UHFFFAOYSA-N
XLogP0.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethylurea?
The IUPAC name of 1-cyclopropylethylurea (CID 5069854) is 1-cyclopropylethylurea.
What is the SMILES notation for 1-cyclopropylethylurea?
The canonical SMILES for 1-cyclopropylethylurea is CC(NC(N)=O)C1CC1.
What is the InChIKey of 1-cyclopropylethylurea?
The InChIKey is ALVRDJSKGZLKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4(5-2-3-5)8-6(7)9/h4-5H,2-3H2,1H3,(H3,7,8,9).
What are the key properties of 1-cyclopropylethylurea?
1-cyclopropylethylurea has a molecular weight of 128.18 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethylurea is sourced from PubChem (CID 5069854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).