methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)acetate

C7H11NO2 — CID 54224798

IUPACmethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)acetate
SMILESCOC(=O)CC1=NCCC1
InChIInChI=1S/C7H11NO2/c1-10-7(9)5-6-3-2-4-8-6/h2-5H2,1H3
InChIKeyQFCDGKKLKANLDC-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.78
Rot. Bonds2

About methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)acetate

methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)acetate (PubChem CID 54224798) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)acetate
PubChem CID54224798
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)acetate
SMILESCOC(=O)CC1=NCCC1
InChIInChI=1S/C7H11NO2/c1-10-7(9)5-6-3-2-4-8-6/h2-5H2,1H3
InChIKeyQFCDGKKLKANLDC-UHFFFAOYSA-N
XLogP0.78
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)acetate?
The IUPAC name of methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)acetate (CID 54224798) is methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)acetate.
What is the SMILES notation for methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)acetate?
The canonical SMILES for methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)acetate is COC(=O)CC1=NCCC1.
What is the InChIKey of methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)acetate?
The InChIKey is QFCDGKKLKANLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-10-7(9)5-6-3-2-4-8-6/h2-5H2,1H3.
What are the key properties of methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)acetate?
methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)acetate has a molecular weight of 141.17 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)acetate is sourced from PubChem (CID 54224798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).