2-anilino-1-cyclobutylethanone

C12H15NO — CID 116555468

IUPAC2-anilino-1-cyclobutylethanone
SMILESO=C(CNc1ccccc1)C1CCC1
InChIInChI=1S/C12H15NO/c14-12(10-5-4-6-10)9-13-11-7-2-1-3-8-11/h1-3,7-8,10,13H,4-6,9H2
InChIKeyYPFUPZNURPZIMS-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.47
Rot. Bonds4

About 2-anilino-1-cyclobutylethanone

2-anilino-1-cyclobutylethanone (PubChem CID 116555468) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-anilino-1-cyclobutylethanone.

Molecular Properties

Compound Name2-anilino-1-cyclobutylethanone
PubChem CID116555468
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-anilino-1-cyclobutylethanone
SMILESO=C(CNc1ccccc1)C1CCC1
InChIInChI=1S/C12H15NO/c14-12(10-5-4-6-10)9-13-11-7-2-1-3-8-11/h1-3,7-8,10,13H,4-6,9H2
InChIKeyYPFUPZNURPZIMS-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-1-(4-ethylcyclohexyl)ethanone
CID 116555398
1-anilino-3-cyclopropylpropan-2-one
CID 116555451
cycloheptyl 2-anilinoacetate
CID 61303915
2-anilino-N-(cyclopentylmethyl)acetamide;hydrochloride
CID 119718704
2-anilinoacetic acid;hydrazine
CID 67393863
[3-[(2-cyclopentyl-2-oxoethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68799400
2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119842954
2-anilino-N-cyclopentyl-N-prop-2-enylacetamide
CID 54872346
2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
CID 62696020
4-[(2-cyclohexyl-2-oxoethyl)amino]-N,N-di(quinolin-3-yl)benzamide
CID 69247541
2-(4-cyclopentyloxyanilino)-N-phenylacetamide
CID 39998941
1-(2-anilinoacetyl)piperidine-2-carboxamide
CID 54940061

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-cyclobutylethanone?
The IUPAC name of 2-anilino-1-cyclobutylethanone (CID 116555468) is 2-anilino-1-cyclobutylethanone.
What is the SMILES notation for 2-anilino-1-cyclobutylethanone?
The canonical SMILES for 2-anilino-1-cyclobutylethanone is O=C(CNc1ccccc1)C1CCC1.
What is the InChIKey of 2-anilino-1-cyclobutylethanone?
The InChIKey is YPFUPZNURPZIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12(10-5-4-6-10)9-13-11-7-2-1-3-8-11/h1-3,7-8,10,13H,4-6,9H2.
What are the key properties of 2-anilino-1-cyclobutylethanone?
2-anilino-1-cyclobutylethanone has a molecular weight of 189.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-cyclobutylethanone is sourced from PubChem (CID 116555468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).