3-hexoxy-1,2-dihydropyrrol-5-one

C10H17NO2 — CID 19982667

IUPAC3-hexoxy-1,2-dihydropyrrol-5-one
SMILESCCCCCCOC1=CC(=O)NC1
InChIInChI=1S/C10H17NO2/c1-2-3-4-5-6-13-9-7-10(12)11-8-9/h7H,2-6,8H2,1H3,(H,11,12)
InChIKeyPZLHZPHABOZQBO-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.60
Rot. Bonds6

About 3-hexoxy-1,2-dihydropyrrol-5-one

3-hexoxy-1,2-dihydropyrrol-5-one (PubChem CID 19982667) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-hexoxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-hexoxy-1,2-dihydropyrrol-5-one
PubChem CID19982667
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-hexoxy-1,2-dihydropyrrol-5-one
SMILESCCCCCCOC1=CC(=O)NC1
InChIInChI=1S/C10H17NO2/c1-2-3-4-5-6-13-9-7-10(12)11-8-9/h7H,2-6,8H2,1H3,(H,11,12)
InChIKeyPZLHZPHABOZQBO-UHFFFAOYSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.60
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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Related Compounds

3,4-dihydro-7-methyl-1,4-oxazepin-5(2H)-one
CID 11970430
(E)-3-butoxy-N-hexylbut-2-enamide
CID 101253884
4-Ethoxy-3-pyrrolin-2-one
CID 15007584
3-(5-Methylhexoxy)-1,2-dihydropyrrol-5-one
CID 19982539
3-Dodecoxy-1,2-dihydropyrrol-5-one
CID 19982564
4-Octyloxy-3-pyrrolin-2-one
CID 19982578
4-n-Propoxy-3-pyrrolin-2-one
CID 19982613
3-(2-Methylpropoxy)-1,2-dihydropyrrol-5-one
CID 19982620
3-Pentoxy-1,2-dihydropyrrol-5-one
CID 19982656
4-Butoxy-1H-pyrrol-2(5H)-one
CID 19982660
3-Propan-2-yloxy-1,2-dihydropyrrol-5-one
CID 19982679
(E)-N-(2-cyclohexyloxyethyl)but-2-enamide
CID 134349334

Frequently Asked Questions

What is the IUPAC name of 3-hexoxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-hexoxy-1,2-dihydropyrrol-5-one (CID 19982667) is 3-hexoxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-hexoxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-hexoxy-1,2-dihydropyrrol-5-one is CCCCCCOC1=CC(=O)NC1.
What is the InChIKey of 3-hexoxy-1,2-dihydropyrrol-5-one?
The InChIKey is PZLHZPHABOZQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-4-5-6-13-9-7-10(12)11-8-9/h7H,2-6,8H2,1H3,(H,11,12).
What are the key properties of 3-hexoxy-1,2-dihydropyrrol-5-one?
3-hexoxy-1,2-dihydropyrrol-5-one has a molecular weight of 183.25 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 19982667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).