(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine

C12H20N2O — CID 11009150

IUPAC(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine
SMILESCOC[C@@H]1CCCN1/N=C1/C=CCCC1
InChIInChI=1S/C12H20N2O/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11/h3,6,12H,2,4-5,7-10H2,1H3/b13-11-/t12-/m0/s1
InChIKeyVFMIIGLQACYLPP-KLDSGFLGSA-N
MW208.30 g/mol
LogP2.19
Rot. Bonds3

About (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine

(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine (PubChem CID 11009150) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine
PubChem CID11009150
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine
SMILESCOC[C@@H]1CCCN1/N=C1/C=CCCC1
InChIInChI=1S/C12H20N2O/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11/h3,6,12H,2,4-5,7-10H2,1H3/b13-11-/t12-/m0/s1
InChIKeyVFMIIGLQACYLPP-KLDSGFLGSA-N
XLogP2.19
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine?
The IUPAC name of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine (CID 11009150) is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine.
What is the SMILES notation for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine?
The canonical SMILES for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine is COC[C@@H]1CCCN1/N=C1/C=CCCC1.
What is the InChIKey of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine?
The InChIKey is VFMIIGLQACYLPP-KLDSGFLGSA-N. The full InChI is InChI=1S/C12H20N2O/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11/h3,6,12H,2,4-5,7-10H2,1H3/b13-11-/t12-/m0/s1.
What are the key properties of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine?
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine has a molecular weight of 208.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine is sourced from PubChem (CID 11009150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).