(2,2-dimethylcyclopropyl)urea

C6H12N2O — CID 61235311

IUPAC(2,2-dimethylcyclopropyl)urea
SMILESCC1(C)CC1NC(N)=O
InChIInChI=1S/C6H12N2O/c1-6(2)3-4(6)8-5(7)9/h4H,3H2,1-2H3,(H3,7,8,9)
InChIKeyQFULMQAADFVYGN-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.45
Rot. Bonds1

About (2,2-dimethylcyclopropyl)urea

(2,2-dimethylcyclopropyl)urea (PubChem CID 61235311) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)urea.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)urea
PubChem CID61235311
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(2,2-dimethylcyclopropyl)urea
SMILESCC1(C)CC1NC(N)=O
InChIInChI=1S/C6H12N2O/c1-6(2)3-4(6)8-5(7)9/h4H,3H2,1-2H3,(H3,7,8,9)
InChIKeyQFULMQAADFVYGN-UHFFFAOYSA-N
XLogP0.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)urea?
The IUPAC name of (2,2-dimethylcyclopropyl)urea (CID 61235311) is (2,2-dimethylcyclopropyl)urea.
What is the SMILES notation for (2,2-dimethylcyclopropyl)urea?
The canonical SMILES for (2,2-dimethylcyclopropyl)urea is CC1(C)CC1NC(N)=O.
What is the InChIKey of (2,2-dimethylcyclopropyl)urea?
The InChIKey is QFULMQAADFVYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(2)3-4(6)8-5(7)9/h4H,3H2,1-2H3,(H3,7,8,9).
What are the key properties of (2,2-dimethylcyclopropyl)urea?
(2,2-dimethylcyclopropyl)urea has a molecular weight of 128.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)urea is sourced from PubChem (CID 61235311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).