N-methyl-1-[2-[(Z)-prop-1-enyl]pyrrol-1-yl]methanimine

C9H12N2 — CID 178004050

IUPACN-methyl-1-[2-[(Z)-prop-1-enyl]pyrrol-1-yl]methanimine
SMILESC/C=C\c1cccn1/C=N/C
InChIInChI=1S/C9H12N2/c1-3-5-9-6-4-7-11(9)8-10-2/h3-8H,1-2H3/b5-3-,10-8+
InChIKeyFHIUSJAXSNLYBW-WEZLDLNLSA-N
MW148.21 g/mol
LogP2.03
Rot. Bonds2

About N-methyl-1-[2-[(Z)-prop-1-enyl]pyrrol-1-yl]methanimine

N-methyl-1-[2-[(Z)-prop-1-enyl]pyrrol-1-yl]methanimine (PubChem CID 178004050) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-methyl-1-[2-[(Z)-prop-1-enyl]pyrrol-1-yl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[2-[(Z)-prop-1-enyl]pyrrol-1-yl]methanimine
PubChem CID178004050
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-methyl-1-[2-[(Z)-prop-1-enyl]pyrrol-1-yl]methanimine
SMILESC/C=C\c1cccn1/C=N/C
InChIInChI=1S/C9H12N2/c1-3-5-9-6-4-7-11(9)8-10-2/h3-8H,1-2H3/b5-3-,10-8+
InChIKeyFHIUSJAXSNLYBW-WEZLDLNLSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine
CID 611756
N-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]methanimine
CID 146637605
(E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide
CID 123628198
1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole
CID 23242926
3-(1-ethylpyrrol-2-yl)prop-2-en-1-ol
CID 79335576
1,4-diphenyl-3-prop-1-enylpyrazole;ethane
CID 54498464
15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
CID 91599001
3-(1-methylpyrrol-2-yl)prop-2-enal
CID 54354656
2-[(E)-3,3-dimethylbut-1-enyl]-1-methylpyrrole
CID 146324112
1-[(3E)-penta-1,3-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]pyrrole
CID 171596789
ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
CID 157355117
CID 157355117

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(Z)-prop-1-enyl]pyrrol-1-yl]methanimine?
The IUPAC name of N-methyl-1-[2-[(Z)-prop-1-enyl]pyrrol-1-yl]methanimine (CID 178004050) is N-methyl-1-[2-[(Z)-prop-1-enyl]pyrrol-1-yl]methanimine.
What is the SMILES notation for N-methyl-1-[2-[(Z)-prop-1-enyl]pyrrol-1-yl]methanimine?
The canonical SMILES for N-methyl-1-[2-[(Z)-prop-1-enyl]pyrrol-1-yl]methanimine is C/C=C\c1cccn1/C=N/C.
What is the InChIKey of N-methyl-1-[2-[(Z)-prop-1-enyl]pyrrol-1-yl]methanimine?
The InChIKey is FHIUSJAXSNLYBW-WEZLDLNLSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-5-9-6-4-7-11(9)8-10-2/h3-8H,1-2H3/b5-3-,10-8+.
What are the key properties of N-methyl-1-[2-[(Z)-prop-1-enyl]pyrrol-1-yl]methanimine?
N-methyl-1-[2-[(Z)-prop-1-enyl]pyrrol-1-yl]methanimine has a molecular weight of 148.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(Z)-prop-1-enyl]pyrrol-1-yl]methanimine is sourced from PubChem (CID 178004050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).