2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one

C11H19NO2 — CID 107138320

IUPAC2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one
SMILESCC(N)(C(=O)C1CCCOC1)C1CC1
InChIInChI=1S/C11H19NO2/c1-11(12,9-4-5-9)10(13)8-3-2-6-14-7-8/h8-9H,2-7,12H2,1H3
InChIKeyXSBJXNWEODIYOC-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.11
Rot. Bonds3

About 2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one

2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one (PubChem CID 107138320) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one
PubChem CID107138320
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one
SMILESCC(N)(C(=O)C1CCCOC1)C1CC1
InChIInChI=1S/C11H19NO2/c1-11(12,9-4-5-9)10(13)8-3-2-6-14-7-8/h8-9H,2-7,12H2,1H3
InChIKeyXSBJXNWEODIYOC-UHFFFAOYSA-N
XLogP1.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one
CID 107136046
2-amino-2-methyl-1-(oxan-3-yl)butan-1-one
CID 107138432
2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 107135922
2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one
CID 130562345
4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one
CID 107138368
2-amino-2-cyclopropyl-N-(oxan-3-yl)propanamide
CID 63361253
(3R)-oxane-3-carboxylic acid
CID 42554318
oxane-3-carboxamide
CID 22714381
2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one
CID 107136019
3-(dimethylamino)-1-(oxan-3-yl)propan-1-one
CID 107135975
2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)propan-1-one
CID 79052397
2-amino-2-cyclopropyl-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 116558440

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one?
The IUPAC name of 2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one (CID 107138320) is 2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one?
The canonical SMILES for 2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one is CC(N)(C(=O)C1CCCOC1)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one?
The InChIKey is XSBJXNWEODIYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(12,9-4-5-9)10(13)8-3-2-6-14-7-8/h8-9H,2-7,12H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one?
2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one is sourced from PubChem (CID 107138320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).