(3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone

C12H18N2O2 — CID 114972690

IUPAC(3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)C1OCCC1C
InChIInChI=1S/C12H18N2O2/c1-3-6-14-7-5-13-12(14)10(15)11-9(2)4-8-16-11/h5,7,9,11H,3-4,6,8H2,1-2H3
InChIKeyHLIGXLGDUZKVSK-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.90
Rot. Bonds4

About (3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone

(3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone (PubChem CID 114972690) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone
PubChem CID114972690
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)C1OCCC1C
InChIInChI=1S/C12H18N2O2/c1-3-6-14-7-5-13-12(14)10(15)11-9(2)4-8-16-11/h5,7,9,11H,3-4,6,8H2,1-2H3
InChIKeyHLIGXLGDUZKVSK-UHFFFAOYSA-N
XLogP1.90
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone
CID 65406612
(1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone
CID 114973031
(3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanol
CID 115799314
(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methanone
CID 115804474
1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821151
(3-methyloxolan-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972541
tert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate
CID 103554048
(1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone
CID 116749514
(E)-1-(1-propylimidazol-2-yl)pent-2-en-1-one
CID 103454256
[1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone
CID 116604170
2-(1-adamantyl)-1-(1-propylimidazol-2-yl)ethanone
CID 114972713
2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone
CID 112574278

Frequently Asked Questions

What is the IUPAC name of (3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone?
The IUPAC name of (3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone (CID 114972690) is (3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone.
What is the SMILES notation for (3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone?
The canonical SMILES for (3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone is CCCn1ccnc1C(=O)C1OCCC1C.
What is the InChIKey of (3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone?
The InChIKey is HLIGXLGDUZKVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-6-14-7-5-13-12(14)10(15)11-9(2)4-8-16-11/h5,7,9,11H,3-4,6,8H2,1-2H3.
What are the key properties of (3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone?
(3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone is sourced from PubChem (CID 114972690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).