N-ethenyl-1-methyl-3-methylidenepyrrol-2-imine

C8H10N2 — CID 123484804

IUPACN-ethenyl-1-methyl-3-methylidenepyrrol-2-imine
SMILESC=C/N=C1/C(=C)C=CN1C
InChIInChI=1S/C8H10N2/c1-4-9-8-7(2)5-6-10(8)3/h4-6H,1-2H2,3H3/b9-8-
InChIKeyPPTQKUVMQYFZJH-HJWRWDBZSA-N
MW134.18 g/mol
LogP1.54
Rot. Bonds1

About N-ethenyl-1-methyl-3-methylidenepyrrol-2-imine

N-ethenyl-1-methyl-3-methylidenepyrrol-2-imine (PubChem CID 123484804) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is N-ethenyl-1-methyl-3-methylidenepyrrol-2-imine.

Molecular Properties

Compound NameN-ethenyl-1-methyl-3-methylidenepyrrol-2-imine
PubChem CID123484804
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC NameN-ethenyl-1-methyl-3-methylidenepyrrol-2-imine
SMILESC=C/N=C1/C(=C)C=CN1C
InChIInChI=1S/C8H10N2/c1-4-9-8-7(2)5-6-10(8)3/h4-6H,1-2H2,3H3/b9-8-
InChIKeyPPTQKUVMQYFZJH-HJWRWDBZSA-N
XLogP1.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine
CID 145149501
N,1,4-trimethylpyridin-2-imine
CID 23387651
2,7-dimethyl-4H-pyrrolo[2,3-d]pyrimidin-4-ide;yttrium
CID 58813308
7-methyl-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 60111512
1-Methyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 89012886
(3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine
CID 90151974
(Z)-N-ethenyl-N,N',2-trimethyl-3-(methylideneamino)prop-2-enimidamide
CID 118883721
1-ethenyl-N,4-dimethylpyridin-2-imine
CID 122691863
10-Methyl-2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
CID 129201430
(3Z)-N,1,4-trimethyl-3-[(methylideneamino)methylidene]pyrrol-2-imine
CID 130347257
3-methylidene-N-(2-methyliminoethenyl)pyrrol-2-amine
CID 132104391
(3Z)-1-tert-butyl-N-ethenyl-3-ethylidenepyrrol-2-imine
CID 132162888

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-methyl-3-methylidenepyrrol-2-imine?
The IUPAC name of N-ethenyl-1-methyl-3-methylidenepyrrol-2-imine (CID 123484804) is N-ethenyl-1-methyl-3-methylidenepyrrol-2-imine.
What is the SMILES notation for N-ethenyl-1-methyl-3-methylidenepyrrol-2-imine?
The canonical SMILES for N-ethenyl-1-methyl-3-methylidenepyrrol-2-imine is C=C/N=C1/C(=C)C=CN1C.
What is the InChIKey of N-ethenyl-1-methyl-3-methylidenepyrrol-2-imine?
The InChIKey is PPTQKUVMQYFZJH-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H10N2/c1-4-9-8-7(2)5-6-10(8)3/h4-6H,1-2H2,3H3/b9-8-.
What are the key properties of N-ethenyl-1-methyl-3-methylidenepyrrol-2-imine?
N-ethenyl-1-methyl-3-methylidenepyrrol-2-imine has a molecular weight of 134.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-methyl-3-methylidenepyrrol-2-imine is sourced from PubChem (CID 123484804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).