1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone

C11H17N3O — CID 116598354

IUPAC1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)C1(N)CCC1
InChIInChI=1S/C11H17N3O/c1-2-14-7-6-13-10(14)8-9(15)11(12)4-3-5-11/h6-7H,2-5,8,12H2,1H3
InChIKeyPDOQNTCWUQMQOU-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.90
Rot. Bonds4

About 1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone

1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone (PubChem CID 116598354) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone
PubChem CID116598354
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)C1(N)CCC1
InChIInChI=1S/C11H17N3O/c1-2-14-7-6-13-10(14)8-9(15)11(12)4-3-5-11/h6-7H,2-5,8,12H2,1H3
InChIKeyPDOQNTCWUQMQOU-UHFFFAOYSA-N
XLogP0.90
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116707035
2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone
CID 103449747
1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558888
1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 79744573
1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561
1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 105115196
1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone
CID 103449553
1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 116600658
4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
CID 79743997
1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588500
1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 79744387
1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one
CID 115783502

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone (CID 116598354) is 1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone is CCn1ccnc1CC(=O)C1(N)CCC1.
What is the InChIKey of 1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is PDOQNTCWUQMQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-14-7-6-13-10(14)8-9(15)11(12)4-3-5-11/h6-7H,2-5,8,12H2,1H3.
What are the key properties of 1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone?
1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 207.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 116598354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).