ethane;N-(5-ethenyl-1-methyl-2,3-dihydropyrrol-4-yl)methanimine

C10H18N2 — CID 143760381

IUPACethane;N-(5-ethenyl-1-methyl-2,3-dihydropyrrol-4-yl)methanimine
SMILESC=CC1=C(N=C)CCN1C.CC
InChIInChI=1S/C8H12N2.C2H6/c1-4-8-7(9-2)5-6-10(8)3;1-2/h4H,1-2,5-6H2,3H3;1-2H3
InChIKeyJDDUFXZENXDUJR-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.45
Rot. Bonds2

About ethane;N-(5-ethenyl-1-methyl-2,3-dihydropyrrol-4-yl)methanimine

ethane;N-(5-ethenyl-1-methyl-2,3-dihydropyrrol-4-yl)methanimine (PubChem CID 143760381) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;N-(5-ethenyl-1-methyl-2,3-dihydropyrrol-4-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(5-ethenyl-1-methyl-2,3-dihydropyrrol-4-yl)methanimine
PubChem CID143760381
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;N-(5-ethenyl-1-methyl-2,3-dihydropyrrol-4-yl)methanimine
SMILESC=CC1=C(N=C)CCN1C.CC
InChIInChI=1S/C8H12N2.C2H6/c1-4-8-7(9-2)5-6-10(8)3;1-2/h4H,1-2,5-6H2,3H3;1-2H3
InChIKeyJDDUFXZENXDUJR-UHFFFAOYSA-N
XLogP2.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 143071601
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CID 143157788
CID 143157788
CID 143157789
CID 143157789
CID 143431654
CID 143431654
CID 143431655
CID 143431655
CID 143687581
CID 143687581
CID 143744517
CID 143744517
CID 143785546
CID 143785546

Frequently Asked Questions

What is the IUPAC name of ethane;N-(5-ethenyl-1-methyl-2,3-dihydropyrrol-4-yl)methanimine?
The IUPAC name of ethane;N-(5-ethenyl-1-methyl-2,3-dihydropyrrol-4-yl)methanimine (CID 143760381) is ethane;N-(5-ethenyl-1-methyl-2,3-dihydropyrrol-4-yl)methanimine.
What is the SMILES notation for ethane;N-(5-ethenyl-1-methyl-2,3-dihydropyrrol-4-yl)methanimine?
The canonical SMILES for ethane;N-(5-ethenyl-1-methyl-2,3-dihydropyrrol-4-yl)methanimine is C=CC1=C(N=C)CCN1C.CC.
What is the InChIKey of ethane;N-(5-ethenyl-1-methyl-2,3-dihydropyrrol-4-yl)methanimine?
The InChIKey is JDDUFXZENXDUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-4-8-7(9-2)5-6-10(8)3;1-2/h4H,1-2,5-6H2,3H3;1-2H3.
What are the key properties of ethane;N-(5-ethenyl-1-methyl-2,3-dihydropyrrol-4-yl)methanimine?
ethane;N-(5-ethenyl-1-methyl-2,3-dihydropyrrol-4-yl)methanimine has a molecular weight of 166.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(5-ethenyl-1-methyl-2,3-dihydropyrrol-4-yl)methanimine is sourced from PubChem (CID 143760381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).