N-butyl-2-oxooxolane-3-carboxamide

C9H15NO3 — CID 56935690

IUPACN-butyl-2-oxooxolane-3-carboxamide
SMILESCCCCNC(=O)C1CCOC1=O
InChIInChI=1S/C9H15NO3/c1-2-3-5-10-8(11)7-4-6-13-9(7)12/h7H,2-6H2,1H3,(H,10,11)
InChIKeyNNFGQLAZZSCGMQ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.47
Rot. Bonds4

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

N-butyl-2-oxooxolane-3-carboxamide (PubChem CID 56935690) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-butyl-2-oxooxolane-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-oxooxolane-3-carboxamide
PubChem CID56935690
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-butyl-2-oxooxolane-3-carboxamide
SMILESCCCCNC(=O)C1CCOC1=O
InChIInChI=1S/C9H15NO3/c1-2-3-5-10-8(11)7-4-6-13-9(7)12/h7H,2-6H2,1H3,(H,10,11)
InChIKeyNNFGQLAZZSCGMQ-UHFFFAOYSA-N
XLogP0.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.47
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

5-Oxo-pyrrolidine-3-carboxylic acid methyl ester
CID 13118117
Ethyl 2-oxopyrrolidine-3-carboxylate
CID 12699000
Methyl 2-oxopyrrolidine-3-carboxylate
CID 4738123
3-Pyrrolidinecarboxylic acid, 4-methyl-5-oxo-, ethyl ester
CID 12292463
Ethyl 3-methyl-2-oxopyrrolidine-3-carboxylate
CID 12677530
Ethyl 3-methyl-5-oxopyrrolidine-3-carboxylate
CID 75446144
Methyl 3-methyl-2-oxopyrrolidine-3-carboxylate
CID 83670610
2-oxo-N-pentyloxolane-3-carboxamide
CID 56935691
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-butyl-N-methyl-2-oxooxolane-3-carboxamide
CID 57392801

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-oxooxolane-3-carboxamide?
The IUPAC name of N-butyl-2-oxooxolane-3-carboxamide (CID 56935690) is N-butyl-2-oxooxolane-3-carboxamide.
What is the SMILES notation for N-butyl-2-oxooxolane-3-carboxamide?
The canonical SMILES for N-butyl-2-oxooxolane-3-carboxamide is CCCCNC(=O)C1CCOC1=O.
What is the InChIKey of N-butyl-2-oxooxolane-3-carboxamide?
The InChIKey is NNFGQLAZZSCGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-3-5-10-8(11)7-4-6-13-9(7)12/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of N-butyl-2-oxooxolane-3-carboxamide?
N-butyl-2-oxooxolane-3-carboxamide has a molecular weight of 185.22 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-oxooxolane-3-carboxamide is sourced from PubChem (CID 56935690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).