N-[(5-formyloxolan-2-yl)methyl]acetamide

C8H13NO3 — CID 10942891

IUPACN-[(5-formyloxolan-2-yl)methyl]acetamide
SMILESCC(=O)NCC1CCC(C=O)O1
InChIInChI=1S/C8H13NO3/c1-6(11)9-4-7-2-3-8(5-10)12-7/h5,7-8H,2-4H2,1H3,(H,9,11)
InChIKeyJKWQDTZFXKOMCB-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.13
Rot. Bonds3

About N-[(5-formyloxolan-2-yl)methyl]acetamide

N-[(5-formyloxolan-2-yl)methyl]acetamide (PubChem CID 10942891) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-[(5-formyloxolan-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-formyloxolan-2-yl)methyl]acetamide
PubChem CID10942891
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC NameN-[(5-formyloxolan-2-yl)methyl]acetamide
SMILESCC(=O)NCC1CCC(C=O)O1
InChIInChI=1S/C8H13NO3/c1-6(11)9-4-7-2-3-8(5-10)12-7/h5,7-8H,2-4H2,1H3,(H,9,11)
InChIKeyJKWQDTZFXKOMCB-UHFFFAOYSA-N
XLogP-0.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-formyloxolan-2-yl)methyl]acetamide?
The IUPAC name of N-[(5-formyloxolan-2-yl)methyl]acetamide (CID 10942891) is N-[(5-formyloxolan-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-formyloxolan-2-yl)methyl]acetamide?
The canonical SMILES for N-[(5-formyloxolan-2-yl)methyl]acetamide is CC(=O)NCC1CCC(C=O)O1.
What is the InChIKey of N-[(5-formyloxolan-2-yl)methyl]acetamide?
The InChIKey is JKWQDTZFXKOMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(11)9-4-7-2-3-8(5-10)12-7/h5,7-8H,2-4H2,1H3,(H,9,11).
What are the key properties of N-[(5-formyloxolan-2-yl)methyl]acetamide?
N-[(5-formyloxolan-2-yl)methyl]acetamide has a molecular weight of 171.20 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-formyloxolan-2-yl)methyl]acetamide is sourced from PubChem (CID 10942891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).