3-(methoxymethyl)-2-oxopyrrolidine-3-carbonitrile

C7H10N2O2 — CID 91618512

IUPAC3-(methoxymethyl)-2-oxopyrrolidine-3-carbonitrile
SMILESCOCC1(C#N)CCNC1=O
InChIInChI=1S/C7H10N2O2/c1-11-5-7(4-8)2-3-9-6(7)10/h2-3,5H2,1H3,(H,9,10)
InChIKeyLNFFOPWPWUTKDW-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.34
Rot. Bonds2

About 3-(methoxymethyl)-2-oxopyrrolidine-3-carbonitrile

3-(methoxymethyl)-2-oxopyrrolidine-3-carbonitrile (PubChem CID 91618512) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-(methoxymethyl)-2-oxopyrrolidine-3-carbonitrile
PubChem CID91618512
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-(methoxymethyl)-2-oxopyrrolidine-3-carbonitrile
SMILESCOCC1(C#N)CCNC1=O
InChIInChI=1S/C7H10N2O2/c1-11-5-7(4-8)2-3-9-6(7)10/h2-3,5H2,1H3,(H,9,10)
InChIKeyLNFFOPWPWUTKDW-UHFFFAOYSA-N
XLogP-0.34
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Methoxymethyl)pyrrolidin-2-one
CID 10351722
2-Oxa-6-azaspiro(3.4)octan-5-one
CID 130138944
4-(Methoxymethyl)-4-methylpyrrolidin-2-one
CID 65954616
(3-Methyl-2-oxopyrrolidin-3-yl)methyl formate
CID 174878046
N-(2-cyanopropyl)oxolane-3-carboxamide
CID 62653672
N-(3-cyanopropyl)oxolane-3-carboxamide
CID 62668302
(4S)-4-(methoxymethyl)-4-methylpyrrolidin-2-one
CID 95757291
(4R)-4-(methoxymethyl)-4-methylpyrrolidin-2-one
CID 95757292
N-(2-cyano-2-methylpropyl)oxolane-3-carboxamide
CID 104074290
2-cyano-2-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 114291445
N,N-diethyl-3-(methoxymethyl)pyrrolidine-3-carboxamide
CID 121678474
3-(methoxymethyl)-N,N-dipropylpyrrolidine-3-carboxamide
CID 121678497

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-oxopyrrolidine-3-carbonitrile?
The IUPAC name of 3-(methoxymethyl)-2-oxopyrrolidine-3-carbonitrile (CID 91618512) is 3-(methoxymethyl)-2-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-(methoxymethyl)-2-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for 3-(methoxymethyl)-2-oxopyrrolidine-3-carbonitrile is COCC1(C#N)CCNC1=O.
What is the InChIKey of 3-(methoxymethyl)-2-oxopyrrolidine-3-carbonitrile?
The InChIKey is LNFFOPWPWUTKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-11-5-7(4-8)2-3-9-6(7)10/h2-3,5H2,1H3,(H,9,10).
What are the key properties of 3-(methoxymethyl)-2-oxopyrrolidine-3-carbonitrile?
3-(methoxymethyl)-2-oxopyrrolidine-3-carbonitrile has a molecular weight of 154.17 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 91618512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).