(5S)-5-(1-nitrosoethyl)oxolan-2-one

C6H9NO3 — CID 121404215

IUPAC(5S)-5-(1-nitrosoethyl)oxolan-2-one
SMILESCC(N=O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C6H9NO3/c1-4(7-9)5-2-3-6(8)10-5/h4-5H,2-3H2,1H3/t4?,5-/m0/s1
InChIKeyQWNGDSLPWFIIHO-AKGZTFGVSA-N
MW143.14 g/mol
LogP0.85
Rot. Bonds2

About (5S)-5-(1-nitrosoethyl)oxolan-2-one

(5S)-5-(1-nitrosoethyl)oxolan-2-one (PubChem CID 121404215) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (5S)-5-(1-nitrosoethyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(1-nitrosoethyl)oxolan-2-one
PubChem CID121404215
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(5S)-5-(1-nitrosoethyl)oxolan-2-one
SMILESCC(N=O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C6H9NO3/c1-4(7-9)5-2-3-6(8)10-5/h4-5H,2-3H2,1H3/t4?,5-/m0/s1
InChIKeyQWNGDSLPWFIIHO-AKGZTFGVSA-N
XLogP0.85
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1-nitrosoethyl)oxolan-2-one?
The IUPAC name of (5S)-5-(1-nitrosoethyl)oxolan-2-one (CID 121404215) is (5S)-5-(1-nitrosoethyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-(1-nitrosoethyl)oxolan-2-one?
The canonical SMILES for (5S)-5-(1-nitrosoethyl)oxolan-2-one is CC(N=O)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-(1-nitrosoethyl)oxolan-2-one?
The InChIKey is QWNGDSLPWFIIHO-AKGZTFGVSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4(7-9)5-2-3-6(8)10-5/h4-5H,2-3H2,1H3/t4?,5-/m0/s1.
What are the key properties of (5S)-5-(1-nitrosoethyl)oxolan-2-one?
(5S)-5-(1-nitrosoethyl)oxolan-2-one has a molecular weight of 143.14 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1-nitrosoethyl)oxolan-2-one is sourced from PubChem (CID 121404215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).