N-[(E)-[5-(ethenyliminomethyl)-1,4-dimethyl-3-methylidenepyrrol-2-ylidene]methyl]ethanimine

C13H17N3 — CID 142955183

IUPACN-[(E)-[5-(ethenyliminomethyl)-1,4-dimethyl-3-methylidenepyrrol-2-ylidene]methyl]ethanimine
SMILESC=C/N=C/c1c(C)c(=C)/c(=C\N=C\C)n1C
InChIInChI=1S/C13H17N3/c1-6-14-8-12-10(3)11(4)13(16(12)5)9-15-7-2/h6-9H,1,4H2,2-3,5H3/b13-9+,14-8+,15-7+
InChIKeyZYQKOGIHIFDFOU-NXWJBQNSSA-N
MW215.30 g/mol
LogP1.13
Rot. Bonds3

About N-[(E)-[5-(ethenyliminomethyl)-1,4-dimethyl-3-methylidenepyrrol-2-ylidene]methyl]ethanimine

N-[(E)-[5-(ethenyliminomethyl)-1,4-dimethyl-3-methylidenepyrrol-2-ylidene]methyl]ethanimine (PubChem CID 142955183) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(E)-[5-(ethenyliminomethyl)-1,4-dimethyl-3-methylidenepyrrol-2-ylidene]methyl]ethanimine.

Molecular Properties

Compound NameN-[(E)-[5-(ethenyliminomethyl)-1,4-dimethyl-3-methylidenepyrrol-2-ylidene]methyl]ethanimine
PubChem CID142955183
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-[(E)-[5-(ethenyliminomethyl)-1,4-dimethyl-3-methylidenepyrrol-2-ylidene]methyl]ethanimine
SMILESC=C/N=C/c1c(C)c(=C)/c(=C\N=C\C)n1C
InChIInChI=1S/C13H17N3/c1-6-14-8-12-10(3)11(4)13(16(12)5)9-15-7-2/h6-9H,1,4H2,2-3,5H3/b13-9+,14-8+,15-7+
InChIKeyZYQKOGIHIFDFOU-NXWJBQNSSA-N
XLogP1.13
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(4-Ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium
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(1E,3E)-8-[(2E)-1-ethyl-3-methylidene-2-prop-2-enylidenepyridin-1-ium-4-yl]-N,N-dimethylocta-1,3,5,7-tetraen-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(ethenyliminomethyl)-1,4-dimethyl-3-methylidenepyrrol-2-ylidene]methyl]ethanimine?
The IUPAC name of N-[(E)-[5-(ethenyliminomethyl)-1,4-dimethyl-3-methylidenepyrrol-2-ylidene]methyl]ethanimine (CID 142955183) is N-[(E)-[5-(ethenyliminomethyl)-1,4-dimethyl-3-methylidenepyrrol-2-ylidene]methyl]ethanimine.
What is the SMILES notation for N-[(E)-[5-(ethenyliminomethyl)-1,4-dimethyl-3-methylidenepyrrol-2-ylidene]methyl]ethanimine?
The canonical SMILES for N-[(E)-[5-(ethenyliminomethyl)-1,4-dimethyl-3-methylidenepyrrol-2-ylidene]methyl]ethanimine is C=C/N=C/c1c(C)c(=C)/c(=C\N=C\C)n1C.
What is the InChIKey of N-[(E)-[5-(ethenyliminomethyl)-1,4-dimethyl-3-methylidenepyrrol-2-ylidene]methyl]ethanimine?
The InChIKey is ZYQKOGIHIFDFOU-NXWJBQNSSA-N. The full InChI is InChI=1S/C13H17N3/c1-6-14-8-12-10(3)11(4)13(16(12)5)9-15-7-2/h6-9H,1,4H2,2-3,5H3/b13-9+,14-8+,15-7+.
What are the key properties of N-[(E)-[5-(ethenyliminomethyl)-1,4-dimethyl-3-methylidenepyrrol-2-ylidene]methyl]ethanimine?
N-[(E)-[5-(ethenyliminomethyl)-1,4-dimethyl-3-methylidenepyrrol-2-ylidene]methyl]ethanimine has a molecular weight of 215.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(ethenyliminomethyl)-1,4-dimethyl-3-methylidenepyrrol-2-ylidene]methyl]ethanimine is sourced from PubChem (CID 142955183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).