1-(2-methylcyclopropen-1-yl)propan-2-ylurea

C8H14N2O — CID 163430464

IUPAC1-(2-methylcyclopropen-1-yl)propan-2-ylurea
SMILESCC1=C(CC(C)NC(N)=O)C1
InChIInChI=1S/C8H14N2O/c1-5-3-7(5)4-6(2)10-8(9)11/h6H,3-4H2,1-2H3,(H3,9,10,11)
InChIKeyAQAYGJKJIFAMHO-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.15
Rot. Bonds3

About 1-(2-methylcyclopropen-1-yl)propan-2-ylurea

1-(2-methylcyclopropen-1-yl)propan-2-ylurea (PubChem CID 163430464) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(2-methylcyclopropen-1-yl)propan-2-ylurea.

Molecular Properties

Compound Name1-(2-methylcyclopropen-1-yl)propan-2-ylurea
PubChem CID163430464
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(2-methylcyclopropen-1-yl)propan-2-ylurea
SMILESCC1=C(CC(C)NC(N)=O)C1
InChIInChI=1S/C8H14N2O/c1-5-3-7(5)4-6(2)10-8(9)11/h6H,3-4H2,1-2H3,(H3,9,10,11)
InChIKeyAQAYGJKJIFAMHO-UHFFFAOYSA-N
XLogP1.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropen-1-yl)propan-2-ylurea?
The IUPAC name of 1-(2-methylcyclopropen-1-yl)propan-2-ylurea (CID 163430464) is 1-(2-methylcyclopropen-1-yl)propan-2-ylurea.
What is the SMILES notation for 1-(2-methylcyclopropen-1-yl)propan-2-ylurea?
The canonical SMILES for 1-(2-methylcyclopropen-1-yl)propan-2-ylurea is CC1=C(CC(C)NC(N)=O)C1.
What is the InChIKey of 1-(2-methylcyclopropen-1-yl)propan-2-ylurea?
The InChIKey is AQAYGJKJIFAMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5-3-7(5)4-6(2)10-8(9)11/h6H,3-4H2,1-2H3,(H3,9,10,11).
What are the key properties of 1-(2-methylcyclopropen-1-yl)propan-2-ylurea?
1-(2-methylcyclopropen-1-yl)propan-2-ylurea has a molecular weight of 154.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropen-1-yl)propan-2-ylurea is sourced from PubChem (CID 163430464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).