2-(oxan-4-yl)propanamide

C8H15NO2 — CID 67486240

IUPAC2-(oxan-4-yl)propanamide
SMILESCC(C(N)=O)C1CCOCC1
InChIInChI=1S/C8H15NO2/c1-6(8(9)10)7-2-4-11-5-3-7/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKeyVPXZMJWVEBYBKV-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.53
Rot. Bonds2

About 2-(oxan-4-yl)propanamide

2-(oxan-4-yl)propanamide (PubChem CID 67486240) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name2-(oxan-4-yl)propanamide
PubChem CID67486240
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(oxan-4-yl)propanamide
SMILESCC(C(N)=O)C1CCOCC1
InChIInChI=1S/C8H15NO2/c1-6(8(9)10)7-2-4-11-5-3-7/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKeyVPXZMJWVEBYBKV-UHFFFAOYSA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)propanamide?
The IUPAC name of 2-(oxan-4-yl)propanamide (CID 67486240) is 2-(oxan-4-yl)propanamide.
What is the SMILES notation for 2-(oxan-4-yl)propanamide?
The canonical SMILES for 2-(oxan-4-yl)propanamide is CC(C(N)=O)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)propanamide?
The InChIKey is VPXZMJWVEBYBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(8(9)10)7-2-4-11-5-3-7/h6-7H,2-5H2,1H3,(H2,9,10).
What are the key properties of 2-(oxan-4-yl)propanamide?
2-(oxan-4-yl)propanamide has a molecular weight of 157.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)propanamide is sourced from PubChem (CID 67486240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).