N-pentyloxirane-2-carboxamide

C8H15NO2 — CID 88626716

IUPACN-pentyloxirane-2-carboxamide
SMILESCCCCCNC(=O)C1CO1
InChIInChI=1S/C8H15NO2/c1-2-3-4-5-9-8(10)7-6-11-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyYQUGPDURPBUHMP-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds5

About N-pentyloxirane-2-carboxamide

N-pentyloxirane-2-carboxamide (PubChem CID 88626716) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-pentyloxirane-2-carboxamide.

Molecular Properties

Compound NameN-pentyloxirane-2-carboxamide
PubChem CID88626716
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-pentyloxirane-2-carboxamide
SMILESCCCCCNC(=O)C1CO1
InChIInChI=1S/C8H15NO2/c1-2-3-4-5-9-8(10)7-6-11-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyYQUGPDURPBUHMP-UHFFFAOYSA-N
XLogP0.69
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pentyloxirane-2-carboxamide?
The IUPAC name of N-pentyloxirane-2-carboxamide (CID 88626716) is N-pentyloxirane-2-carboxamide.
What is the SMILES notation for N-pentyloxirane-2-carboxamide?
The canonical SMILES for N-pentyloxirane-2-carboxamide is CCCCCNC(=O)C1CO1.
What is the InChIKey of N-pentyloxirane-2-carboxamide?
The InChIKey is YQUGPDURPBUHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-4-5-9-8(10)7-6-11-7/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of N-pentyloxirane-2-carboxamide?
N-pentyloxirane-2-carboxamide has a molecular weight of 157.21 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyloxirane-2-carboxamide is sourced from PubChem (CID 88626716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).