3-(cyclohexylamino)oxolan-2-one

C10H17NO2 — CID 43824131

IUPAC3-(cyclohexylamino)oxolan-2-one
SMILESO=C1OCCC1NC1CCCCC1
InChIInChI=1S/C10H17NO2/c12-10-9(6-7-13-10)11-8-4-2-1-3-5-8/h8-9,11H,1-7H2
InChIKeyWAWRIMMOQCBVNL-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds2

About 3-(cyclohexylamino)oxolan-2-one

3-(cyclohexylamino)oxolan-2-one (PubChem CID 43824131) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(cyclohexylamino)oxolan-2-one.

Molecular Properties

Compound Name3-(cyclohexylamino)oxolan-2-one
PubChem CID43824131
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(cyclohexylamino)oxolan-2-one
SMILESO=C1OCCC1NC1CCCCC1
InChIInChI=1S/C10H17NO2/c12-10-9(6-7-13-10)11-8-4-2-1-3-5-8/h8-9,11H,1-7H2
InChIKeyWAWRIMMOQCBVNL-UHFFFAOYSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)oxolan-2-one?
The IUPAC name of 3-(cyclohexylamino)oxolan-2-one (CID 43824131) is 3-(cyclohexylamino)oxolan-2-one.
What is the SMILES notation for 3-(cyclohexylamino)oxolan-2-one?
The canonical SMILES for 3-(cyclohexylamino)oxolan-2-one is O=C1OCCC1NC1CCCCC1.
What is the InChIKey of 3-(cyclohexylamino)oxolan-2-one?
The InChIKey is WAWRIMMOQCBVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10-9(6-7-13-10)11-8-4-2-1-3-5-8/h8-9,11H,1-7H2.
What are the key properties of 3-(cyclohexylamino)oxolan-2-one?
3-(cyclohexylamino)oxolan-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)oxolan-2-one is sourced from PubChem (CID 43824131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).