N-methyl-1-[5-methylidene-3-(methylideneamino)-2H-pyrrol-1-yl]methanimine

C8H11N3 — CID 145029559

IUPACN-methyl-1-[5-methylidene-3-(methylideneamino)-2H-pyrrol-1-yl]methanimine
SMILESC=NC1=CC(=C)N(/C=N/C)C1
InChIInChI=1S/C8H11N3/c1-7-4-8(10-3)5-11(7)6-9-2/h4,6H,1,3,5H2,2H3/b9-6+
InChIKeyOAAQABPYMRQGOL-RMKNXTFCSA-N
MW149.20 g/mol
LogP1.06
Rot. Bonds2

About N-methyl-1-[5-methylidene-3-(methylideneamino)-2H-pyrrol-1-yl]methanimine

N-methyl-1-[5-methylidene-3-(methylideneamino)-2H-pyrrol-1-yl]methanimine (PubChem CID 145029559) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N-methyl-1-[5-methylidene-3-(methylideneamino)-2H-pyrrol-1-yl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[5-methylidene-3-(methylideneamino)-2H-pyrrol-1-yl]methanimine
PubChem CID145029559
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN-methyl-1-[5-methylidene-3-(methylideneamino)-2H-pyrrol-1-yl]methanimine
SMILESC=NC1=CC(=C)N(/C=N/C)C1
InChIInChI=1S/C8H11N3/c1-7-4-8(10-3)5-11(7)6-9-2/h4,6H,1,3,5H2,2H3/b9-6+
InChIKeyOAAQABPYMRQGOL-RMKNXTFCSA-N
XLogP1.06
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.06
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-Ethyl-5-(1-fluoroprop-2-enylidene)-4-methylideneimidazole
CID 124012782
2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile
CID 134239602
N-[(Z,4E)-4-(2,3-dimethyl-4H-imidazol-5-ylidene)-1,1,1-trifluorobut-2-en-2-yl]methanimine
CID 137468195
(5E)-5-[(2E)-2-fluoropenta-2,4-dienylidene]-4H-imidazole-3-carbonitrile
CID 138535077
2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile
CID 138535224
1-Prop-1-en-2-yl-4,5-dihydroimidazole
CID 12159152
1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole
CID 23175353
2-Methyl-1-phenyl-4,5-dihydroimidazole;tungsten
CID 58914513
2-Bromo-1-phenyl-4,5-dihydroimidazole;tungsten
CID 58914527
1-methyl-4H-benzimidazol-4-ide;yttrium
CID 59098102
1-But-2-en-2-yl-4,5-dihydroimidazole
CID 67796429
1-methyl-5-methylidene-4H-imidazole
CID 67978393

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methylidene-3-(methylideneamino)-2H-pyrrol-1-yl]methanimine?
The IUPAC name of N-methyl-1-[5-methylidene-3-(methylideneamino)-2H-pyrrol-1-yl]methanimine (CID 145029559) is N-methyl-1-[5-methylidene-3-(methylideneamino)-2H-pyrrol-1-yl]methanimine.
What is the SMILES notation for N-methyl-1-[5-methylidene-3-(methylideneamino)-2H-pyrrol-1-yl]methanimine?
The canonical SMILES for N-methyl-1-[5-methylidene-3-(methylideneamino)-2H-pyrrol-1-yl]methanimine is C=NC1=CC(=C)N(/C=N/C)C1.
What is the InChIKey of N-methyl-1-[5-methylidene-3-(methylideneamino)-2H-pyrrol-1-yl]methanimine?
The InChIKey is OAAQABPYMRQGOL-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H11N3/c1-7-4-8(10-3)5-11(7)6-9-2/h4,6H,1,3,5H2,2H3/b9-6+.
What are the key properties of N-methyl-1-[5-methylidene-3-(methylideneamino)-2H-pyrrol-1-yl]methanimine?
N-methyl-1-[5-methylidene-3-(methylideneamino)-2H-pyrrol-1-yl]methanimine has a molecular weight of 149.20 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methylidene-3-(methylideneamino)-2H-pyrrol-1-yl]methanimine is sourced from PubChem (CID 145029559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).