pyrrolidin-1-ylmethyl acetate

C7H13NO2 — CID 23560806

IUPACpyrrolidin-1-ylmethyl acetate
SMILESCC(=O)OCN1CCCC1
InChIInChI=1S/C7H13NO2/c1-7(9)10-6-8-4-2-3-5-8/h2-6H2,1H3
InChIKeyWGIFQGWGGQBINH-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.60
Rot. Bonds2

About pyrrolidin-1-ylmethyl acetate

pyrrolidin-1-ylmethyl acetate (PubChem CID 23560806) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is pyrrolidin-1-ylmethyl acetate.

Molecular Properties

Compound Namepyrrolidin-1-ylmethyl acetate
PubChem CID23560806
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namepyrrolidin-1-ylmethyl acetate
SMILESCC(=O)OCN1CCCC1
InChIInChI=1S/C7H13NO2/c1-7(9)10-6-8-4-2-3-5-8/h2-6H2,1H3
InChIKeyWGIFQGWGGQBINH-UHFFFAOYSA-N
XLogP0.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethenylpiperidin-1-yl)methyl acetate
CID 54261484
2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid
CID 152664837
piperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 175702306
methyl 2-[4,7-bis(acetyloxymethyl)-10-(3-amino-2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 145325491
sodium;acetyl 2-piperidin-1-ylacetate;hydride
CID 174390410
ethyl (E)-3-methyl-4-piperidin-1-ylbut-2-enoate
CID 59333090
(cyclohexane);ethyl acetate
CID 173021642
pentadecakis(cyclohexane);ethyl acetate
CID 173010680
ethane;1-piperidin-1-ylpropan-2-one
CID 90726504
N-(2-piperidin-1-ylethoxy)acetamide
CID 110642863
ethyl 2-(azocan-1-yl)acetate
CID 25219274
1-ethylpyrrolidine;2-methylprop-2-enamide
CID 163676291

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-ylmethyl acetate?
The IUPAC name of pyrrolidin-1-ylmethyl acetate (CID 23560806) is pyrrolidin-1-ylmethyl acetate.
What is the SMILES notation for pyrrolidin-1-ylmethyl acetate?
The canonical SMILES for pyrrolidin-1-ylmethyl acetate is CC(=O)OCN1CCCC1.
What is the InChIKey of pyrrolidin-1-ylmethyl acetate?
The InChIKey is WGIFQGWGGQBINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(9)10-6-8-4-2-3-5-8/h2-6H2,1H3.
What are the key properties of pyrrolidin-1-ylmethyl acetate?
pyrrolidin-1-ylmethyl acetate has a molecular weight of 143.19 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-ylmethyl acetate is sourced from PubChem (CID 23560806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).