3-(1-methylcyclopropyl)-1H-imidazol-2-one

C7H10N2O — CID 103126011

IUPAC3-(1-methylcyclopropyl)-1H-imidazol-2-one
SMILESCC1(n2cc[nH]c2=O)CC1
InChIInChI=1S/C7H10N2O/c1-7(2-3-7)9-5-4-8-6(9)10/h4-5H,2-3H2,1H3,(H,8,10)
InChIKeySMTFKUUAWPQFIQ-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.69
Rot. Bonds1

About 3-(1-methylcyclopropyl)-1H-imidazol-2-one

3-(1-methylcyclopropyl)-1H-imidazol-2-one (PubChem CID 103126011) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-(1-methylcyclopropyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-methylcyclopropyl)-1H-imidazol-2-one
PubChem CID103126011
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-(1-methylcyclopropyl)-1H-imidazol-2-one
SMILESCC1(n2cc[nH]c2=O)CC1
InChIInChI=1S/C7H10N2O/c1-7(2-3-7)9-5-4-8-6(9)10/h4-5H,2-3H2,1H3,(H,8,10)
InChIKeySMTFKUUAWPQFIQ-UHFFFAOYSA-N
XLogP0.69
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopropyl)-1H-imidazol-2-one?
The IUPAC name of 3-(1-methylcyclopropyl)-1H-imidazol-2-one (CID 103126011) is 3-(1-methylcyclopropyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-methylcyclopropyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(1-methylcyclopropyl)-1H-imidazol-2-one is CC1(n2cc[nH]c2=O)CC1.
What is the InChIKey of 3-(1-methylcyclopropyl)-1H-imidazol-2-one?
The InChIKey is SMTFKUUAWPQFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-7(2-3-7)9-5-4-8-6(9)10/h4-5H,2-3H2,1H3,(H,8,10).
What are the key properties of 3-(1-methylcyclopropyl)-1H-imidazol-2-one?
3-(1-methylcyclopropyl)-1H-imidazol-2-one has a molecular weight of 138.17 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopropyl)-1H-imidazol-2-one is sourced from PubChem (CID 103126011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).