2-phenyl-2-(15N)pyrrolidin-1-ylethenimine

C12H14N2 — CID 10797852

IUPAC2-phenyl-2-(15N)pyrrolidin-1-ylethenimine
SMILESN=C=C(c1ccccc1)[15N]1CCCC1
InChIInChI=1S/C12H14N2/c13-10-12(14-8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-9H2/i14+1
InChIKeyKIPPVAJWKCRPRO-UJKGMGNHSA-N
MW187.25 g/mol
LogP2.37
Rot. Bonds2

About 2-phenyl-2-(15N)pyrrolidin-1-ylethenimine

2-phenyl-2-(15N)pyrrolidin-1-ylethenimine (PubChem CID 10797852) has the molecular formula C12H14N2 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-phenyl-2-(15N)pyrrolidin-1-ylethenimine.

Molecular Properties

Compound Name2-phenyl-2-(15N)pyrrolidin-1-ylethenimine
PubChem CID10797852
Molecular FormulaC12H14N2
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-phenyl-2-(15N)pyrrolidin-1-ylethenimine
SMILESN=C=C(c1ccccc1)[15N]1CCCC1
InChIInChI=1S/C12H14N2/c13-10-12(14-8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-9H2/i14+1
InChIKeyKIPPVAJWKCRPRO-UJKGMGNHSA-N
XLogP2.37
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl(pyrrolidin-1-yl)methaneselone
CID 11149100
(NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine
CID 15190945
(E)-3-phenyl-3-pyrrolidin-1-ylprop-2-enenitrile
CID 10655579
1-phenyl-2-pyrrolidin-1-yl-2-sulfanylideneethanone
CID 102205481
diphenyl-[(Z)-2-phenyl-1,2-di(piperidin-1-yl)ethenyl]borane
CID 132549916
CID 100924956
CID 100924956
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride
CID 174601511
(Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one
CID 6377486
1-[(Z)-2-(2-methylphenyl)-1-phenylethenyl]pyrrolidine
CID 135078220
1-[(E)-2-(2-methylphenyl)-1-phenylethenyl]pyrrolidine
CID 101409440
N-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine
CID 102375712
(E)-2-phenyl-2-piperidin-1-ylethenediazonium
CID 134983730

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(15N)pyrrolidin-1-ylethenimine?
The IUPAC name of 2-phenyl-2-(15N)pyrrolidin-1-ylethenimine (CID 10797852) is 2-phenyl-2-(15N)pyrrolidin-1-ylethenimine.
What is the SMILES notation for 2-phenyl-2-(15N)pyrrolidin-1-ylethenimine?
The canonical SMILES for 2-phenyl-2-(15N)pyrrolidin-1-ylethenimine is N=C=C(c1ccccc1)[15N]1CCCC1.
What is the InChIKey of 2-phenyl-2-(15N)pyrrolidin-1-ylethenimine?
The InChIKey is KIPPVAJWKCRPRO-UJKGMGNHSA-N. The full InChI is InChI=1S/C12H14N2/c13-10-12(14-8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-9H2/i14+1.
What are the key properties of 2-phenyl-2-(15N)pyrrolidin-1-ylethenimine?
2-phenyl-2-(15N)pyrrolidin-1-ylethenimine has a molecular weight of 187.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(15N)pyrrolidin-1-ylethenimine is sourced from PubChem (CID 10797852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).