3-(aminomethyl)-4,4,5,5-tetramethyloxolan-2-one

C9H17NO2 — CID 146184177

IUPAC3-(aminomethyl)-4,4,5,5-tetramethyloxolan-2-one
SMILESCC1(C)OC(=O)C(CN)C1(C)C
InChIInChI=1S/C9H17NO2/c1-8(2)6(5-10)7(11)12-9(8,3)4/h6H,5,10H2,1-4H3
InChIKeyFVPWYYHNHQSTEW-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.92
Rot. Bonds1

About 3-(aminomethyl)-4,4,5,5-tetramethyloxolan-2-one

3-(aminomethyl)-4,4,5,5-tetramethyloxolan-2-one (PubChem CID 146184177) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(aminomethyl)-4,4,5,5-tetramethyloxolan-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-4,4,5,5-tetramethyloxolan-2-one
PubChem CID146184177
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(aminomethyl)-4,4,5,5-tetramethyloxolan-2-one
SMILESCC1(C)OC(=O)C(CN)C1(C)C
InChIInChI=1S/C9H17NO2/c1-8(2)6(5-10)7(11)12-9(8,3)4/h6H,5,10H2,1-4H3
InChIKeyFVPWYYHNHQSTEW-UHFFFAOYSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,4,5,5-tetramethyloxolan-2-one?
The IUPAC name of 3-(aminomethyl)-4,4,5,5-tetramethyloxolan-2-one (CID 146184177) is 3-(aminomethyl)-4,4,5,5-tetramethyloxolan-2-one.
What is the SMILES notation for 3-(aminomethyl)-4,4,5,5-tetramethyloxolan-2-one?
The canonical SMILES for 3-(aminomethyl)-4,4,5,5-tetramethyloxolan-2-one is CC1(C)OC(=O)C(CN)C1(C)C.
What is the InChIKey of 3-(aminomethyl)-4,4,5,5-tetramethyloxolan-2-one?
The InChIKey is FVPWYYHNHQSTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)6(5-10)7(11)12-9(8,3)4/h6H,5,10H2,1-4H3.
What are the key properties of 3-(aminomethyl)-4,4,5,5-tetramethyloxolan-2-one?
3-(aminomethyl)-4,4,5,5-tetramethyloxolan-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,4,5,5-tetramethyloxolan-2-one is sourced from PubChem (CID 146184177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).