N-butyloxolane-2-carboxamide

C9H17NO2 — CID 5081726

IUPACN-butyloxolane-2-carboxamide
SMILESCCCCNC(=O)C1CCCO1
InChIInChI=1S/C9H17NO2/c1-2-3-6-10-9(11)8-5-4-7-12-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyJEWZTBMNAUYVKW-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds4

About N-butyloxolane-2-carboxamide

N-butyloxolane-2-carboxamide (PubChem CID 5081726) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-butyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-butyloxolane-2-carboxamide
PubChem CID5081726
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-butyloxolane-2-carboxamide
SMILESCCCCNC(=O)C1CCCO1
InChIInChI=1S/C9H17NO2/c1-2-3-6-10-9(11)8-5-4-7-12-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyJEWZTBMNAUYVKW-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyloxolane-2-carboxamide?
The IUPAC name of N-butyloxolane-2-carboxamide (CID 5081726) is N-butyloxolane-2-carboxamide.
What is the SMILES notation for N-butyloxolane-2-carboxamide?
The canonical SMILES for N-butyloxolane-2-carboxamide is CCCCNC(=O)C1CCCO1.
What is the InChIKey of N-butyloxolane-2-carboxamide?
The InChIKey is JEWZTBMNAUYVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-6-10-9(11)8-5-4-7-12-8/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of N-butyloxolane-2-carboxamide?
N-butyloxolane-2-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyloxolane-2-carboxamide is sourced from PubChem (CID 5081726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).