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

C11H20N2 — CID 143785555

IUPACethane;N-(5-ethenyl-1-ethyl-2,3-dihydropyrrol-4-yl)methanimine
SMILESC=CC1=C(N=C)CCN1CC.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-9-8(10-3)6-7-11(9)5-2;1-2/h4H,1,3,5-7H2,2H3;1-2H3
InChIKeyMQGWHIZDQWQEJU-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.84
Rot. Bonds3

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

ethane;N-(5-ethenyl-1-ethyl-2,3-dihydropyrrol-4-yl)methanimine (PubChem CID 143785555) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;N-(5-ethenyl-1-ethyl-2,3-dihydropyrrol-4-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(5-ethenyl-1-ethyl-2,3-dihydropyrrol-4-yl)methanimine
PubChem CID143785555
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;N-(5-ethenyl-1-ethyl-2,3-dihydropyrrol-4-yl)methanimine
SMILESC=CC1=C(N=C)CCN1CC.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-9-8(10-3)6-7-11(9)5-2;1-2/h4H,1,3,5-7H2,2H3;1-2H3
InChIKeyMQGWHIZDQWQEJU-UHFFFAOYSA-N
XLogP2.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
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 ethane;N-(5-ethenyl-1-ethyl-2,3-dihydropyrrol-4-yl)methanimine?
The IUPAC name of ethane;N-(5-ethenyl-1-ethyl-2,3-dihydropyrrol-4-yl)methanimine (CID 143785555) is ethane;N-(5-ethenyl-1-ethyl-2,3-dihydropyrrol-4-yl)methanimine.
What is the SMILES notation for ethane;N-(5-ethenyl-1-ethyl-2,3-dihydropyrrol-4-yl)methanimine?
The canonical SMILES for ethane;N-(5-ethenyl-1-ethyl-2,3-dihydropyrrol-4-yl)methanimine is C=CC1=C(N=C)CCN1CC.CC.
What is the InChIKey of ethane;N-(5-ethenyl-1-ethyl-2,3-dihydropyrrol-4-yl)methanimine?
The InChIKey is MQGWHIZDQWQEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-4-9-8(10-3)6-7-11(9)5-2;1-2/h4H,1,3,5-7H2,2H3;1-2H3.
What are the key properties of ethane;N-(5-ethenyl-1-ethyl-2,3-dihydropyrrol-4-yl)methanimine?
ethane;N-(5-ethenyl-1-ethyl-2,3-dihydropyrrol-4-yl)methanimine has a molecular weight of 180.29 g/mol, XLogP of 2.84, 3 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-ethyl-2,3-dihydropyrrol-4-yl)methanimine is sourced from PubChem (CID 143785555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).