1-(4-amino-3-methyloxolan-3-yl)propan-1-one

C8H15NO2 — CID 116562998

IUPAC1-(4-amino-3-methyloxolan-3-yl)propan-1-one
SMILESCCC(=O)C1(C)COCC1N
InChIInChI=1S/C8H15NO2/c1-3-7(10)8(2)5-11-4-6(8)9/h6H,3-5,9H2,1-2H3
InChIKeyREYWPSJWODMMFK-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.33
Rot. Bonds2

About 1-(4-amino-3-methyloxolan-3-yl)propan-1-one

1-(4-amino-3-methyloxolan-3-yl)propan-1-one (PubChem CID 116562998) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(4-amino-3-methyloxolan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-methyloxolan-3-yl)propan-1-one
PubChem CID116562998
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(4-amino-3-methyloxolan-3-yl)propan-1-one
SMILESCCC(=O)C1(C)COCC1N
InChIInChI=1S/C8H15NO2/c1-3-7(10)8(2)5-11-4-6(8)9/h6H,3-5,9H2,1-2H3
InChIKeyREYWPSJWODMMFK-UHFFFAOYSA-N
XLogP0.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methyloxolan-3-yl)propan-1-one?
The IUPAC name of 1-(4-amino-3-methyloxolan-3-yl)propan-1-one (CID 116562998) is 1-(4-amino-3-methyloxolan-3-yl)propan-1-one.
What is the SMILES notation for 1-(4-amino-3-methyloxolan-3-yl)propan-1-one?
The canonical SMILES for 1-(4-amino-3-methyloxolan-3-yl)propan-1-one is CCC(=O)C1(C)COCC1N.
What is the InChIKey of 1-(4-amino-3-methyloxolan-3-yl)propan-1-one?
The InChIKey is REYWPSJWODMMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-7(10)8(2)5-11-4-6(8)9/h6H,3-5,9H2,1-2H3.
What are the key properties of 1-(4-amino-3-methyloxolan-3-yl)propan-1-one?
1-(4-amino-3-methyloxolan-3-yl)propan-1-one has a molecular weight of 157.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methyloxolan-3-yl)propan-1-one is sourced from PubChem (CID 116562998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).