5-methyloxolane-2-carboxamide

C6H11NO2 — CID 80956581

IUPAC5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(N)=O)O1
InChIInChI=1S/C6H11NO2/c1-4-2-3-5(9-4)6(7)8/h4-5H,2-3H2,1H3,(H2,7,8)
InChIKeyNQFDSOQFWHHKKE-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.04
Rot. Bonds1

About 5-methyloxolane-2-carboxamide

5-methyloxolane-2-carboxamide (PubChem CID 80956581) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 5-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name5-methyloxolane-2-carboxamide
PubChem CID80956581
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(N)=O)O1
InChIInChI=1S/C6H11NO2/c1-4-2-3-5(9-4)6(7)8/h4-5H,2-3H2,1H3,(H2,7,8)
InChIKeyNQFDSOQFWHHKKE-UHFFFAOYSA-N
XLogP0.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyloxolane-2-carboxamide?
The IUPAC name of 5-methyloxolane-2-carboxamide (CID 80956581) is 5-methyloxolane-2-carboxamide.
What is the SMILES notation for 5-methyloxolane-2-carboxamide?
The canonical SMILES for 5-methyloxolane-2-carboxamide is CC1CCC(C(N)=O)O1.
What is the InChIKey of 5-methyloxolane-2-carboxamide?
The InChIKey is NQFDSOQFWHHKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-2-3-5(9-4)6(7)8/h4-5H,2-3H2,1H3,(H2,7,8).
What are the key properties of 5-methyloxolane-2-carboxamide?
5-methyloxolane-2-carboxamide has a molecular weight of 129.16 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloxolane-2-carboxamide is sourced from PubChem (CID 80956581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).