1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one

C13H20N2O2 — CID 115811846

IUPAC1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one
SMILESCn1ccnc1CCC(=O)CCC1CCCO1
InChIInChI=1S/C13H20N2O2/c1-15-9-8-14-13(15)7-5-11(16)4-6-12-3-2-10-17-12/h8-9,12H,2-7,10H2,1H3
InChIKeyQKNVCTIETCPUAB-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.88
Rot. Bonds6

About 1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one

1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one (PubChem CID 115811846) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one
PubChem CID115811846
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one
SMILESCn1ccnc1CCC(=O)CCC1CCCO1
InChIInChI=1S/C13H20N2O2/c1-15-9-8-14-13(15)7-5-11(16)4-6-12-3-2-10-17-12/h8-9,12H,2-7,10H2,1H3
InChIKeyQKNVCTIETCPUAB-UHFFFAOYSA-N
XLogP1.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95337939
N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61039260
2-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-ylmethyl)piperidine;bis(2,2,2-trifluoroacetic acid)
CID 154887228
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 91792038
1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole
CID 115410560
[(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate
CID 97185490
1-(1,4-dioxan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811960
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)butan-2-one
CID 114965269
1-(1-methylimidazol-2-yl)-5-(4-methylphenyl)pentan-3-one
CID 105133851
4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-one
CID 115786489
1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one
CID 62938870
1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[(2S)-oxan-2-yl]propan-1-one
CID 129334404

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one?
The IUPAC name of 1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one (CID 115811846) is 1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one is Cn1ccnc1CCC(=O)CCC1CCCO1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one?
The InChIKey is QKNVCTIETCPUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15-9-8-14-13(15)7-5-11(16)4-6-12-3-2-10-17-12/h8-9,12H,2-7,10H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one?
1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one has a molecular weight of 236.31 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one is sourced from PubChem (CID 115811846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).