1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one

C11H19N3O2 — CID 80582524

IUPAC1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one
SMILESCn1ccn(CCNCC2CCOC2)c1=O
InChIInChI=1S/C11H19N3O2/c1-13-5-6-14(11(13)15)4-3-12-8-10-2-7-16-9-10/h5-6,10,12H,2-4,7-9H2,1H3
InChIKeyGNAWVIGHUUFAQK-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.19
Rot. Bonds5

About 1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one

1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one (PubChem CID 80582524) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one
PubChem CID80582524
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one
SMILESCn1ccn(CCNCC2CCOC2)c1=O
InChIInChI=1S/C11H19N3O2/c1-13-5-6-14(11(13)15)4-3-12-8-10-2-7-16-9-10/h5-6,10,12H,2-4,7-9H2,1H3
InChIKeyGNAWVIGHUUFAQK-UHFFFAOYSA-N
XLogP-0.19
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one
CID 62986607
5-bromo-6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
CID 66309421
1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 62567717
2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62562885
1-[2-(cyclopentylmethylamino)ethyl]-3-propylimidazol-2-one
CID 80582598
1-[2-(cyclohexylmethylamino)ethyl]-3-propylimidazol-2-one
CID 80582596
2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 63879209
3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one
CID 55087543
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
3-[2-(oxolan-3-ylmethylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 62564708
N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine
CID 62574882
3-(1-methylpyrazol-4-yl)-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115887397

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one?
The IUPAC name of 1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one (CID 80582524) is 1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one.
What is the SMILES notation for 1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one?
The canonical SMILES for 1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one is Cn1ccn(CCNCC2CCOC2)c1=O.
What is the InChIKey of 1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one?
The InChIKey is GNAWVIGHUUFAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-13-5-6-14(11(13)15)4-3-12-8-10-2-7-16-9-10/h5-6,10,12H,2-4,7-9H2,1H3.
What are the key properties of 1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one?
1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one has a molecular weight of 225.29 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one is sourced from PubChem (CID 80582524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).