3-(methoxymethyl)pyrrolidine-3-carbonitrile;molecular hydrogen

C7H14N2O — CID 176675117

IUPAC3-(methoxymethyl)pyrrolidine-3-carbonitrile;molecular hydrogen
SMILESCOCC1(C#N)CCNC1.[H][H]
InChIInChI=1S/C7H12N2O.H2/c1-10-6-7(4-8)2-3-9-5-7;/h9H,2-3,5-6H2,1H3;1H
InChIKeyMJRNIDWHVLQRMD-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.38
Rot. Bonds2

About 3-(methoxymethyl)pyrrolidine-3-carbonitrile;molecular hydrogen

3-(methoxymethyl)pyrrolidine-3-carbonitrile;molecular hydrogen (PubChem CID 176675117) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(methoxymethyl)pyrrolidine-3-carbonitrile;molecular hydrogen.

Molecular Properties

Compound Name3-(methoxymethyl)pyrrolidine-3-carbonitrile;molecular hydrogen
PubChem CID176675117
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-(methoxymethyl)pyrrolidine-3-carbonitrile;molecular hydrogen
SMILESCOCC1(C#N)CCNC1.[H][H]
InChIInChI=1S/C7H12N2O.H2/c1-10-6-7(4-8)2-3-9-5-7;/h9H,2-3,5-6H2,1H3;1H
InChIKeyMJRNIDWHVLQRMD-UHFFFAOYSA-N
XLogP0.38
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Methoxymethyl)-3-methylpyrrolidine hydrochloride
CID 67343930
3-(Hydroxymethyl)pyrrolidine-3-carbonitrile hydrochloride
CID 170911425
3-(Methoxymethyl)pyrrolidine-3-carbonitrile hydrochloride
CID 177800967
3-(Methoxymethyl)-3-methylpyrrolidine
CID 59540797
3-(Hydroxymethyl)pyrrolidine-3-carbonitrile
CID 83854259
[3-(Methoxymethyl)pyrrolidin-3-yl]methanamine
CID 89153435
(3S)-3-(methoxymethyl)-3-methylpyrrolidine
CID 94475323
3-(Methoxymethyl)pyrrolidine-3-carbonitrile
CID 165463809
(3S)-3-(hydroxymethyl)pyrrolidine-3-carbonitrile
CID 167468360
(3S)-3-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile
CID 167468402
3-(Methoxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 176675075
3-(Aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 176675140

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)pyrrolidine-3-carbonitrile;molecular hydrogen?
The IUPAC name of 3-(methoxymethyl)pyrrolidine-3-carbonitrile;molecular hydrogen (CID 176675117) is 3-(methoxymethyl)pyrrolidine-3-carbonitrile;molecular hydrogen.
What is the SMILES notation for 3-(methoxymethyl)pyrrolidine-3-carbonitrile;molecular hydrogen?
The canonical SMILES for 3-(methoxymethyl)pyrrolidine-3-carbonitrile;molecular hydrogen is COCC1(C#N)CCNC1.[H][H].
What is the InChIKey of 3-(methoxymethyl)pyrrolidine-3-carbonitrile;molecular hydrogen?
The InChIKey is MJRNIDWHVLQRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.H2/c1-10-6-7(4-8)2-3-9-5-7;/h9H,2-3,5-6H2,1H3;1H.
What are the key properties of 3-(methoxymethyl)pyrrolidine-3-carbonitrile;molecular hydrogen?
3-(methoxymethyl)pyrrolidine-3-carbonitrile;molecular hydrogen has a molecular weight of 142.20 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)pyrrolidine-3-carbonitrile;molecular hydrogen is sourced from PubChem (CID 176675117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).