[2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropyl] acetate

C10H17NO2 — CID 70558842

IUPAC[2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropyl] acetate
SMILESCC(=O)OCC(C)(C)C1=NCCC1
InChIInChI=1S/C10H17NO2/c1-8(12)13-7-10(2,3)9-5-4-6-11-9/h4-7H2,1-3H3
InChIKeyWFYGNXQLCGPZSN-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.81
Rot. Bonds3

About [2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropyl] acetate

[2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropyl] acetate (PubChem CID 70558842) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropyl] acetate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropyl] acetate
PubChem CID70558842
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name[2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropyl] acetate
SMILESCC(=O)OCC(C)(C)C1=NCCC1
InChIInChI=1S/C10H17NO2/c1-8(12)13-7-10(2,3)9-5-4-6-11-9/h4-7H2,1-3H3
InChIKeyWFYGNXQLCGPZSN-UHFFFAOYSA-N
XLogP1.81
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropyl] acetate?
The IUPAC name of [2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropyl] acetate (CID 70558842) is [2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropyl] acetate.
What is the SMILES notation for [2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropyl] acetate?
The canonical SMILES for [2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropyl] acetate is CC(=O)OCC(C)(C)C1=NCCC1.
What is the InChIKey of [2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropyl] acetate?
The InChIKey is WFYGNXQLCGPZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(12)13-7-10(2,3)9-5-4-6-11-9/h4-7H2,1-3H3.
What are the key properties of [2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropyl] acetate?
[2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropyl] acetate has a molecular weight of 183.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropyl] acetate is sourced from PubChem (CID 70558842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).