1-methyl-1-[(2-methylcyclopropanecarbonyl)amino]urea

C7H13N3O2 — CID 126995564

IUPAC1-methyl-1-[(2-methylcyclopropanecarbonyl)amino]urea
SMILESCC1CC1C(=O)NN(C)C(N)=O
InChIInChI=1S/C7H13N3O2/c1-4-3-5(4)6(11)9-10(2)7(8)12/h4-5H,3H2,1-2H3,(H2,8,12)(H,9,11)
InChIKeyRNJJJLMDJVBIIX-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.32
Rot. Bonds1

About 1-methyl-1-[(2-methylcyclopropanecarbonyl)amino]urea

1-methyl-1-[(2-methylcyclopropanecarbonyl)amino]urea (PubChem CID 126995564) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-methyl-1-[(2-methylcyclopropanecarbonyl)amino]urea.

Molecular Properties

Compound Name1-methyl-1-[(2-methylcyclopropanecarbonyl)amino]urea
PubChem CID126995564
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-methyl-1-[(2-methylcyclopropanecarbonyl)amino]urea
SMILESCC1CC1C(=O)NN(C)C(N)=O
InChIInChI=1S/C7H13N3O2/c1-4-3-5(4)6(11)9-10(2)7(8)12/h4-5H,3H2,1-2H3,(H2,8,12)(H,9,11)
InChIKeyRNJJJLMDJVBIIX-UHFFFAOYSA-N
XLogP-0.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2-methylcyclopropanecarbonyl)amino]urea?
The IUPAC name of 1-methyl-1-[(2-methylcyclopropanecarbonyl)amino]urea (CID 126995564) is 1-methyl-1-[(2-methylcyclopropanecarbonyl)amino]urea.
What is the SMILES notation for 1-methyl-1-[(2-methylcyclopropanecarbonyl)amino]urea?
The canonical SMILES for 1-methyl-1-[(2-methylcyclopropanecarbonyl)amino]urea is CC1CC1C(=O)NN(C)C(N)=O.
What is the InChIKey of 1-methyl-1-[(2-methylcyclopropanecarbonyl)amino]urea?
The InChIKey is RNJJJLMDJVBIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-4-3-5(4)6(11)9-10(2)7(8)12/h4-5H,3H2,1-2H3,(H2,8,12)(H,9,11).
What are the key properties of 1-methyl-1-[(2-methylcyclopropanecarbonyl)amino]urea?
1-methyl-1-[(2-methylcyclopropanecarbonyl)amino]urea has a molecular weight of 171.20 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2-methylcyclopropanecarbonyl)amino]urea is sourced from PubChem (CID 126995564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).