1-(cyclopropylmethoxymethyl)-3-methylimidazol-2-one

C9H14N2O2 — CID 106931115

IUPAC1-(cyclopropylmethoxymethyl)-3-methylimidazol-2-one
SMILESCn1ccn(COCC2CC2)c1=O
InChIInChI=1S/C9H14N2O2/c1-10-4-5-11(9(10)12)7-13-6-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3
InChIKeyZFANNPGWVRQVQR-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.57
Rot. Bonds4

About 1-(cyclopropylmethoxymethyl)-3-methylimidazol-2-one

1-(cyclopropylmethoxymethyl)-3-methylimidazol-2-one (PubChem CID 106931115) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(cyclopropylmethoxymethyl)-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethoxymethyl)-3-methylimidazol-2-one
PubChem CID106931115
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(cyclopropylmethoxymethyl)-3-methylimidazol-2-one
SMILESCn1ccn(COCC2CC2)c1=O
InChIInChI=1S/C9H14N2O2/c1-10-4-5-11(9(10)12)7-13-6-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3
InChIKeyZFANNPGWVRQVQR-UHFFFAOYSA-N
XLogP0.57
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylmethoxymethyl)-3-methylimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxymethyl)-3-methylimidazol-2-one?
The IUPAC name of 1-(cyclopropylmethoxymethyl)-3-methylimidazol-2-one (CID 106931115) is 1-(cyclopropylmethoxymethyl)-3-methylimidazol-2-one.
What is the SMILES notation for 1-(cyclopropylmethoxymethyl)-3-methylimidazol-2-one?
The canonical SMILES for 1-(cyclopropylmethoxymethyl)-3-methylimidazol-2-one is Cn1ccn(COCC2CC2)c1=O.
What is the InChIKey of 1-(cyclopropylmethoxymethyl)-3-methylimidazol-2-one?
The InChIKey is ZFANNPGWVRQVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-10-4-5-11(9(10)12)7-13-6-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 1-(cyclopropylmethoxymethyl)-3-methylimidazol-2-one?
1-(cyclopropylmethoxymethyl)-3-methylimidazol-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxymethyl)-3-methylimidazol-2-one is sourced from PubChem (CID 106931115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).