1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one

C13H20N2O2 — CID 103558888

IUPAC1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one
SMILESCCn1ccnc1CC(=O)CC1(OC)CCC1
InChIInChI=1S/C13H20N2O2/c1-3-15-8-7-14-12(15)9-11(16)10-13(17-2)5-4-6-13/h7-8H,3-6,9-10H2,1-2H3
InChIKeyJYFHXKYNTNKTRQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.97
Rot. Bonds6

About 1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one

1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one (PubChem CID 103558888) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one
PubChem CID103558888
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one
SMILESCCn1ccnc1CC(=O)CC1(OC)CCC1
InChIInChI=1S/C13H20N2O2/c1-3-15-8-7-14-12(15)9-11(16)10-13(17-2)5-4-6-13/h7-8H,3-6,9-10H2,1-2H3
InChIKeyJYFHXKYNTNKTRQ-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116707035
1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116598354
2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone
CID 103449747
1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-one
CID 79743912
1-(1-ethylimidazol-2-yl)-2-(1-methoxycyclobutyl)ethanol
CID 103560119
1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588500
1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561
1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one
CID 116590833
1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 79744573
(1-ethylimidazol-2-yl)-(1-methoxycyclopentyl)methanone
CID 104610250
4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one
CID 79745031
1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 105115196

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one (CID 103558888) is 1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one is CCn1ccnc1CC(=O)CC1(OC)CCC1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one?
The InChIKey is JYFHXKYNTNKTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15-8-7-14-12(15)9-11(16)10-13(17-2)5-4-6-13/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one?
1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one has a molecular weight of 236.31 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one is sourced from PubChem (CID 103558888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).