N-butyl-N-methyl-2-oxooxolane-3-carboxamide

C10H17NO3 — CID 57392801

IUPACN-butyl-N-methyl-2-oxooxolane-3-carboxamide
SMILESCCCCN(C)C(=O)C1CCOC1=O
InChIInChI=1S/C10H17NO3/c1-3-4-6-11(2)9(12)8-5-7-14-10(8)13/h8H,3-7H2,1-2H3
InChIKeyGUMJCEGAPZSNQB-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.81
Rot. Bonds4

About N-butyl-N-methyl-2-oxooxolane-3-carboxamide

N-butyl-N-methyl-2-oxooxolane-3-carboxamide (PubChem CID 57392801) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-butyl-N-methyl-2-oxooxolane-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-oxooxolane-3-carboxamide
PubChem CID57392801
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-butyl-N-methyl-2-oxooxolane-3-carboxamide
SMILESCCCCN(C)C(=O)C1CCOC1=O
InChIInChI=1S/C10H17NO3/c1-3-4-6-11(2)9(12)8-5-7-14-10(8)13/h8H,3-7H2,1-2H3
InChIKeyGUMJCEGAPZSNQB-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-oxooxolane-3-carboxamide?
The IUPAC name of N-butyl-N-methyl-2-oxooxolane-3-carboxamide (CID 57392801) is N-butyl-N-methyl-2-oxooxolane-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-2-oxooxolane-3-carboxamide?
The canonical SMILES for N-butyl-N-methyl-2-oxooxolane-3-carboxamide is CCCCN(C)C(=O)C1CCOC1=O.
What is the InChIKey of N-butyl-N-methyl-2-oxooxolane-3-carboxamide?
The InChIKey is GUMJCEGAPZSNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-4-6-11(2)9(12)8-5-7-14-10(8)13/h8H,3-7H2,1-2H3.
What are the key properties of N-butyl-N-methyl-2-oxooxolane-3-carboxamide?
N-butyl-N-methyl-2-oxooxolane-3-carboxamide has a molecular weight of 199.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-oxooxolane-3-carboxamide is sourced from PubChem (CID 57392801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).