1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone

C12H19N3O2 — CID 116561696

IUPAC1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)C1CNCCO1
InChIInChI=1S/C12H19N3O2/c1-2-5-15-6-3-14-12(15)8-10(16)11-9-13-4-7-17-11/h3,6,11,13H,2,4-5,7-9H2,1H3
InChIKeyVKFRKBXKYJPCDP-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.39
Rot. Bonds5

About 1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone

1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone (PubChem CID 116561696) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone
PubChem CID116561696
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)C1CNCCO1
InChIInChI=1S/C12H19N3O2/c1-2-5-15-6-3-14-12(15)8-10(16)11-9-13-4-7-17-11/h3,6,11,13H,2,4-5,7-9H2,1H3
InChIKeyVKFRKBXKYJPCDP-UHFFFAOYSA-N
XLogP0.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784823
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 79744117
1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 116560631
1-(3-methyl-1,4-dithian-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115385686
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone
CID 116561672
5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116571370
[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 97123595
1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116557654
1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 79744199
1-morpholin-2-yloctan-1-one
CID 70601940
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide
CID 119858998
(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide
CID 95896960

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone (CID 116561696) is 1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1CC(=O)C1CNCCO1.
What is the InChIKey of 1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone?
The InChIKey is VKFRKBXKYJPCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-5-15-6-3-14-12(15)8-10(16)11-9-13-4-7-17-11/h3,6,11,13H,2,4-5,7-9H2,1H3.
What are the key properties of 1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone?
1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone has a molecular weight of 237.30 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 116561696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).