1-anilino-3-cyclopropylpropan-2-one

C12H15NO — CID 116555451

IUPAC1-anilino-3-cyclopropylpropan-2-one
SMILESO=C(CNc1ccccc1)CC1CC1
InChIInChI=1S/C12H15NO/c14-12(8-10-6-7-10)9-13-11-4-2-1-3-5-11/h1-5,10,13H,6-9H2
InChIKeyYWWUOIRPLWTHHO-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.47
Rot. Bonds5

About 1-anilino-3-cyclopropylpropan-2-one

1-anilino-3-cyclopropylpropan-2-one (PubChem CID 116555451) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-anilino-3-cyclopropylpropan-2-one.

Molecular Properties

Compound Name1-anilino-3-cyclopropylpropan-2-one
PubChem CID116555451
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-anilino-3-cyclopropylpropan-2-one
SMILESO=C(CNc1ccccc1)CC1CC1
InChIInChI=1S/C12H15NO/c14-12(8-10-6-7-10)9-13-11-4-2-1-3-5-11/h1-5,10,13H,6-9H2
InChIKeyYWWUOIRPLWTHHO-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-cyclopropyl-N-phenylacetamide
CID 60753326
2-anilino-1-(4-ethylcyclohexyl)ethanone
CID 116555398
2-anilino-1-cyclobutylethanone
CID 116555468
2-anilino-N-(3-cyclopropylpropyl)acetamide
CID 113267062
2-anilino-N-(4-ethylcyclohexyl)acetamide
CID 61470089
2-anilinoacetic acid;formic acid
CID 174518720
2-anilino-N-(cyclopentylmethyl)acetamide;hydrochloride
CID 119718704
2-anilinoacetic acid;hydrazine
CID 67393863
N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol
CID 143136691
3-(anilinomethyl)cyclopentane-1-carboxylic acid
CID 105474187
1-anilino-3-propoxypropan-2-one
CID 116555401
2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
CID 62696020

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-cyclopropylpropan-2-one?
The IUPAC name of 1-anilino-3-cyclopropylpropan-2-one (CID 116555451) is 1-anilino-3-cyclopropylpropan-2-one.
What is the SMILES notation for 1-anilino-3-cyclopropylpropan-2-one?
The canonical SMILES for 1-anilino-3-cyclopropylpropan-2-one is O=C(CNc1ccccc1)CC1CC1.
What is the InChIKey of 1-anilino-3-cyclopropylpropan-2-one?
The InChIKey is YWWUOIRPLWTHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12(8-10-6-7-10)9-13-11-4-2-1-3-5-11/h1-5,10,13H,6-9H2.
What are the key properties of 1-anilino-3-cyclopropylpropan-2-one?
1-anilino-3-cyclopropylpropan-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-cyclopropylpropan-2-one is sourced from PubChem (CID 116555451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).