(Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine

C12H22N2O2 — CID 10922226

IUPAC(Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine
SMILESCOC[C@@H]1CCCN1/N=C1\OCCC[C@H]1C
InChIInChI=1S/C12H22N2O2/c1-10-5-4-8-16-12(10)13-14-7-3-6-11(14)9-15-2/h10-11H,3-9H2,1-2H3/b13-12-/t10-,11+/m1/s1
InChIKeyJEPBHRTYLPRTFC-WBMWQFGBSA-N
MW226.32 g/mol
LogP1.86
Rot. Bonds3

About (Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine

(Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine (PubChem CID 10922226) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine.

Molecular Properties

Compound Name(Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine
PubChem CID10922226
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine
SMILESCOC[C@@H]1CCCN1/N=C1\OCCC[C@H]1C
InChIInChI=1S/C12H22N2O2/c1-10-5-4-8-16-12(10)13-14-7-3-6-11(14)9-15-2/h10-11H,3-9H2,1-2H3/b13-12-/t10-,11+/m1/s1
InChIKeyJEPBHRTYLPRTFC-WBMWQFGBSA-N
XLogP1.86
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine?
The IUPAC name of (Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine (CID 10922226) is (Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine.
What is the SMILES notation for (Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine?
The canonical SMILES for (Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine is COC[C@@H]1CCCN1/N=C1\OCCC[C@H]1C.
What is the InChIKey of (Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine?
The InChIKey is JEPBHRTYLPRTFC-WBMWQFGBSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10-5-4-8-16-12(10)13-14-7-3-6-11(14)9-15-2/h10-11H,3-9H2,1-2H3/b13-12-/t10-,11+/m1/s1.
What are the key properties of (Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine?
(Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine has a molecular weight of 226.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine is sourced from PubChem (CID 10922226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).