1-(4-amino-3-methyloxolan-3-yl)-2-methylpropan-1-one

C9H17NO2 — CID 116562981

IUPAC1-(4-amino-3-methyloxolan-3-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1(C)COCC1N
InChIInChI=1S/C9H17NO2/c1-6(2)8(11)9(3)5-12-4-7(9)10/h6-7H,4-5,10H2,1-3H3
InChIKeyPGZQNPZQPSRSLP-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.58
Rot. Bonds2

About 1-(4-amino-3-methyloxolan-3-yl)-2-methylpropan-1-one

1-(4-amino-3-methyloxolan-3-yl)-2-methylpropan-1-one (PubChem CID 116562981) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(4-amino-3-methyloxolan-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-methyloxolan-3-yl)-2-methylpropan-1-one
PubChem CID116562981
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(4-amino-3-methyloxolan-3-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1(C)COCC1N
InChIInChI=1S/C9H17NO2/c1-6(2)8(11)9(3)5-12-4-7(9)10/h6-7H,4-5,10H2,1-3H3
InChIKeyPGZQNPZQPSRSLP-UHFFFAOYSA-N
XLogP0.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.58
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)-2-methylpropan-1-one?
The IUPAC name of 1-(4-amino-3-methyloxolan-3-yl)-2-methylpropan-1-one (CID 116562981) is 1-(4-amino-3-methyloxolan-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-amino-3-methyloxolan-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-amino-3-methyloxolan-3-yl)-2-methylpropan-1-one is CC(C)C(=O)C1(C)COCC1N.
What is the InChIKey of 1-(4-amino-3-methyloxolan-3-yl)-2-methylpropan-1-one?
The InChIKey is PGZQNPZQPSRSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)8(11)9(3)5-12-4-7(9)10/h6-7H,4-5,10H2,1-3H3.
What are the key properties of 1-(4-amino-3-methyloxolan-3-yl)-2-methylpropan-1-one?
1-(4-amino-3-methyloxolan-3-yl)-2-methylpropan-1-one has a molecular weight of 171.24 g/mol, XLogP of 0.58, 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)-2-methylpropan-1-one is sourced from PubChem (CID 116562981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).