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

C9H17NO2 — CID 116563035

IUPAC1-(4-amino-3-methyloxolan-3-yl)butan-1-one
SMILESCCCC(=O)C1(C)COCC1N
InChIInChI=1S/C9H17NO2/c1-3-4-8(11)9(2)6-12-5-7(9)10/h7H,3-6,10H2,1-2H3
InChIKeyKHHRWVGEYNUUKD-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.72
Rot. Bonds3

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

1-(4-amino-3-methyloxolan-3-yl)butan-1-one (PubChem CID 116563035) 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)butan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-methyloxolan-3-yl)butan-1-one
PubChem CID116563035
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(4-amino-3-methyloxolan-3-yl)butan-1-one
SMILESCCCC(=O)C1(C)COCC1N
InChIInChI=1S/C9H17NO2/c1-3-4-8(11)9(2)6-12-5-7(9)10/h7H,3-6,10H2,1-2H3
InChIKeyKHHRWVGEYNUUKD-UHFFFAOYSA-N
XLogP0.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-1-one
CID 116563179
1-(4-Amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one
CID 116563237
1-(4-Aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one
CID 116587616
4-Amino-3,3-dipropyloxolan-2-one
CID 18761664
2-Amino-4,4-dimethyl-1-propan-2-yloxyhexan-3-one;ethane
CID 142227971
(4S)-4-amino-3,3-dipropyloxolan-2-one
CID 11286880
1-(4-Amino-3-methyloxolan-3-yl)-2-methylpentan-1-one
CID 107889967
1-(4-Aminooxolan-3-yl)-2-methylpentan-1-one
CID 107890178
1-(4-Amino-3-methyloxolan-3-yl)decan-1-one
CID 113537148
3-Amino-4-methoxy-1-(1-methylcyclopropyl)butan-1-one
CID 116011961
3-Amino-1-(oxolan-3-yl)butan-1-one
CID 116177576
3-Amino-4-methoxy-1-(oxolan-3-yl)butan-1-one
CID 116177579

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methyloxolan-3-yl)butan-1-one?
The IUPAC name of 1-(4-amino-3-methyloxolan-3-yl)butan-1-one (CID 116563035) is 1-(4-amino-3-methyloxolan-3-yl)butan-1-one.
What is the SMILES notation for 1-(4-amino-3-methyloxolan-3-yl)butan-1-one?
The canonical SMILES for 1-(4-amino-3-methyloxolan-3-yl)butan-1-one is CCCC(=O)C1(C)COCC1N.
What is the InChIKey of 1-(4-amino-3-methyloxolan-3-yl)butan-1-one?
The InChIKey is KHHRWVGEYNUUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-4-8(11)9(2)6-12-5-7(9)10/h7H,3-6,10H2,1-2H3.
What are the key properties of 1-(4-amino-3-methyloxolan-3-yl)butan-1-one?
1-(4-amino-3-methyloxolan-3-yl)butan-1-one has a molecular weight of 171.24 g/mol, XLogP of 0.72, 3 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)butan-1-one is sourced from PubChem (CID 116563035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).