ethanimine;3-methyl-1,2-dihydropyrrol-2-ide;nickel(3+);prop-1-ene

C10H15N2Ni — CID 90236224

IUPACethanimine;3-methyl-1,2-dihydropyrrol-2-ide;nickel(3+);prop-1-ene
SMILESC=C[CH2-].Cc1[c-][nH]cc1.[H]/N=C/[CH2-].[Ni+3]
InChIInChI=1S/C5H6N.C3H5.C2H4N.Ni/c1-5-2-3-6-4-5;1-3-2;1-2-3;/h2-3,6H,1H3;3H,1-2H2;2-3H,1H2;/q3*-1;+3/b;;3-2+;
InChIKeyCYNOIFXBWQDRSP-QIICRJKOSA-N
MW221.94 g/mol
LogP2.60
Rot. Bonds

About ethanimine;3-methyl-1,2-dihydropyrrol-2-ide;nickel(3+);prop-1-ene

ethanimine;3-methyl-1,2-dihydropyrrol-2-ide;nickel(3+);prop-1-ene (PubChem CID 90236224) has the molecular formula C10H15N2Ni and a molecular weight of 221.94 g/mol. Its IUPAC name is ethanimine;3-methyl-1,2-dihydropyrrol-2-ide;nickel(3+);prop-1-ene.

Molecular Properties

Compound Nameethanimine;3-methyl-1,2-dihydropyrrol-2-ide;nickel(3+);prop-1-ene
PubChem CID90236224
Molecular FormulaC10H15N2Ni
Molecular Weight221.94 g/mol
Exact Mass221.06
IUPAC Nameethanimine;3-methyl-1,2-dihydropyrrol-2-ide;nickel(3+);prop-1-ene
SMILESC=C[CH2-].Cc1[c-][nH]cc1.[H]/N=C/[CH2-].[Ni+3]
InChIInChI=1S/C5H6N.C3H5.C2H4N.Ni/c1-5-2-3-6-4-5;1-3-2;1-2-3;/h2-3,6H,1H3;3H,1-2H2;2-3H,1H2;/q3*-1;+3/b;;3-2+;
InChIKeyCYNOIFXBWQDRSP-QIICRJKOSA-N
XLogP2.60
TPSA39.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.94
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanimine;3-methyl-1,2-dihydropyrrol-2-ide;nickel(3+);prop-1-ene?
The IUPAC name of ethanimine;3-methyl-1,2-dihydropyrrol-2-ide;nickel(3+);prop-1-ene (CID 90236224) is ethanimine;3-methyl-1,2-dihydropyrrol-2-ide;nickel(3+);prop-1-ene.
What is the SMILES notation for ethanimine;3-methyl-1,2-dihydropyrrol-2-ide;nickel(3+);prop-1-ene?
The canonical SMILES for ethanimine;3-methyl-1,2-dihydropyrrol-2-ide;nickel(3+);prop-1-ene is C=C[CH2-].Cc1[c-][nH]cc1.[H]/N=C/[CH2-].[Ni+3].
What is the InChIKey of ethanimine;3-methyl-1,2-dihydropyrrol-2-ide;nickel(3+);prop-1-ene?
The InChIKey is CYNOIFXBWQDRSP-QIICRJKOSA-N. The full InChI is InChI=1S/C5H6N.C3H5.C2H4N.Ni/c1-5-2-3-6-4-5;1-3-2;1-2-3;/h2-3,6H,1H3;3H,1-2H2;2-3H,1H2;/q3*-1;+3/b;;3-2+;.
What are the key properties of ethanimine;3-methyl-1,2-dihydropyrrol-2-ide;nickel(3+);prop-1-ene?
ethanimine;3-methyl-1,2-dihydropyrrol-2-ide;nickel(3+);prop-1-ene has a molecular weight of 221.94 g/mol, XLogP of 2.60, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimine;3-methyl-1,2-dihydropyrrol-2-ide;nickel(3+);prop-1-ene is sourced from PubChem (CID 90236224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).