2-oxo-N-pentyloxolane-3-carboxamide

C10H17NO3 — CID 56935691

IUPAC2-oxo-N-pentyloxolane-3-carboxamide
SMILESCCCCCNC(=O)C1CCOC1=O
InChIInChI=1S/C10H17NO3/c1-2-3-4-6-11-9(12)8-5-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)
InChIKeyMUWWMEZRHVNMRU-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.86
Rot. Bonds5

About 2-oxo-N-pentyloxolane-3-carboxamide

2-oxo-N-pentyloxolane-3-carboxamide (PubChem CID 56935691) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-oxo-N-pentyloxolane-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-pentyloxolane-3-carboxamide
PubChem CID56935691
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-oxo-N-pentyloxolane-3-carboxamide
SMILESCCCCCNC(=O)C1CCOC1=O
InChIInChI=1S/C10H17NO3/c1-2-3-4-6-11-9(12)8-5-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)
InChIKeyMUWWMEZRHVNMRU-UHFFFAOYSA-N
XLogP0.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-oxopyrrolidine-3-carboxylate
CID 12699000
Methyl 2-oxopyrrolidine-3-carboxylate
CID 4738123
Ethyl 3-methyl-2-oxopyrrolidine-3-carboxylate
CID 12677530
N-butyl-2-oxooxolane-3-carboxamide
CID 56935690
N-hexyl-2-oxooxolane-3-carboxamide
CID 56935692
N-octyl-2-oxooxolane-3-carboxamide
CID 56935693
N-decyl-2-oxooxolane-3-carboxamide
CID 56935707
N-hexyl-N-methyl-2-oxooxolane-3-carboxamide
CID 57391008
N-butyl-N-methyl-2-oxooxolane-3-carboxamide
CID 57392801
ethyl (3S,4R)-2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate
CID 639928
Ethyl 2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate
CID 22298238
Propan-2-yl 2-oxopyrrolidine-3-carboxylate
CID 10057961

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-pentyloxolane-3-carboxamide?
The IUPAC name of 2-oxo-N-pentyloxolane-3-carboxamide (CID 56935691) is 2-oxo-N-pentyloxolane-3-carboxamide.
What is the SMILES notation for 2-oxo-N-pentyloxolane-3-carboxamide?
The canonical SMILES for 2-oxo-N-pentyloxolane-3-carboxamide is CCCCCNC(=O)C1CCOC1=O.
What is the InChIKey of 2-oxo-N-pentyloxolane-3-carboxamide?
The InChIKey is MUWWMEZRHVNMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-3-4-6-11-9(12)8-5-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-oxo-N-pentyloxolane-3-carboxamide?
2-oxo-N-pentyloxolane-3-carboxamide has a molecular weight of 199.25 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-pentyloxolane-3-carboxamide is sourced from PubChem (CID 56935691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).