N-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine

C9H12N2 — CID 143838717

IUPACN-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine
SMILESC=Cc1c(C)cn(C)c1N=C
InChIInChI=1S/C9H12N2/c1-5-8-7(2)6-11(4)9(8)10-3/h5-6H,1,3H2,2,4H3
InChIKeyAXCOLZYJDQDVPS-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.31
Rot. Bonds2

About N-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine

N-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine (PubChem CID 143838717) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine
PubChem CID143838717
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine
SMILESC=Cc1c(C)cn(C)c1N=C
InChIInChI=1S/C9H12N2/c1-5-8-7(2)6-11(4)9(8)10-3/h5-6H,1,3H2,2,4H3
InChIKeyAXCOLZYJDQDVPS-UHFFFAOYSA-N
XLogP2.31
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.31
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

ethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole
CID 178086762
N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine
CID 166455325
N-(1,4-dimethylpyrazol-5-yl)methanimine
CID 146491771
2-ethenyl-1,3,5-trimethylbenzene
CID 158735169
2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene
CID 142450771
N-[1,7-dimethyl-3-[(Z)-prop-1-enyl]indol-2-yl]methanimine
CID 163294308
N-(2-ethenyl-4,5-dimethylphenyl)methanimine
CID 177137027
2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane
CID 142006410
3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid
CID 163846396
7-ethenyl-1,5,6-trimethylindazole
CID 167037820
ethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine
CID 143572314
N-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine
CID 142363960

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine?
The IUPAC name of N-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine (CID 143838717) is N-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine.
What is the SMILES notation for N-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine?
The canonical SMILES for N-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine is C=Cc1c(C)cn(C)c1N=C.
What is the InChIKey of N-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine?
The InChIKey is AXCOLZYJDQDVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-5-8-7(2)6-11(4)9(8)10-3/h5-6H,1,3H2,2,4H3.
What are the key properties of N-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine?
N-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine has a molecular weight of 148.21 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine is sourced from PubChem (CID 143838717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).