1-phenylmethoxypyrrolidin-2-imine

C11H14N2O — CID 45091431

IUPAC1-phenylmethoxypyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1OCc1ccccc1
InChIInChI=1S/C11H14N2O/c12-11-7-4-8-13(11)14-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2/b12-11+
InChIKeyMTLUDVMORPREIZ-VAWYXSNFSA-N
MW190.25 g/mol
LogP2.19
Rot. Bonds3

About 1-phenylmethoxypyrrolidin-2-imine

1-phenylmethoxypyrrolidin-2-imine (PubChem CID 45091431) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-phenylmethoxypyrrolidin-2-imine.

Molecular Properties

Compound Name1-phenylmethoxypyrrolidin-2-imine
PubChem CID45091431
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-phenylmethoxypyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1OCc1ccccc1
InChIInChI=1S/C11H14N2O/c12-11-7-4-8-13(11)14-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2/b12-11+
InChIKeyMTLUDVMORPREIZ-VAWYXSNFSA-N
XLogP2.19
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-phenylmethoxypyrrolidin-2-imine?
The IUPAC name of 1-phenylmethoxypyrrolidin-2-imine (CID 45091431) is 1-phenylmethoxypyrrolidin-2-imine.
What is the SMILES notation for 1-phenylmethoxypyrrolidin-2-imine?
The canonical SMILES for 1-phenylmethoxypyrrolidin-2-imine is [H]/N=C1\CCCN1OCc1ccccc1.
What is the InChIKey of 1-phenylmethoxypyrrolidin-2-imine?
The InChIKey is MTLUDVMORPREIZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H14N2O/c12-11-7-4-8-13(11)14-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2/b12-11+.
What are the key properties of 1-phenylmethoxypyrrolidin-2-imine?
1-phenylmethoxypyrrolidin-2-imine has a molecular weight of 190.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxypyrrolidin-2-imine is sourced from PubChem (CID 45091431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).