1,5-dimethyl-3-methylidenepyrrol-2-imine

C7H10N2 — CID 143618670

IUPAC1,5-dimethyl-3-methylidenepyrrol-2-imine
SMILES[H]/N=C1\C(=C)C=C(C)N1C
InChIInChI=1S/C7H10N2/c1-5-4-6(2)9(3)7(5)8/h4,8H,1H2,2-3H3/b8-7+
InChIKeyMOBTZAOOQPZPRT-BQYQJAHWSA-N
MW122.17 g/mol
LogP1.37
Rot. Bonds

About 1,5-dimethyl-3-methylidenepyrrol-2-imine

1,5-dimethyl-3-methylidenepyrrol-2-imine (PubChem CID 143618670) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1,5-dimethyl-3-methylidenepyrrol-2-imine.

Molecular Properties

Compound Name1,5-dimethyl-3-methylidenepyrrol-2-imine
PubChem CID143618670
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1,5-dimethyl-3-methylidenepyrrol-2-imine
SMILES[H]/N=C1\C(=C)C=C(C)N1C
InChIInChI=1S/C7H10N2/c1-5-4-6(2)9(3)7(5)8/h4,8H,1H2,2-3H3/b8-7+
InChIKeyMOBTZAOOQPZPRT-BQYQJAHWSA-N
XLogP1.37
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
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

(3Z)-N-(fluoromethyl)-1,5-dimethyl-3-propylidenepyrrol-2-imine
CID 173750636
N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide
CID 123226625
N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide
CID 123919129
(3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine
CID 137291304
5-Ethyl-1-methyl-3-methylidenepyrrol-2-imine
CID 145221788
(Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide
CID 166739630
1,5-dimethyl-2-methylidene-3H-pyridin-6-imine
CID 169825651
1-Ethyl-4,6-dimethylpyridin-2-imine
CID 45079075
1-Cyclopentyl-5-methyl-3-methylidenepyrrol-2-imine
CID 153630476
(Z)-N-(1-cyclohepta-1,4,6-trien-1-ylethenyl)-N-methylhex-3-enimidamide
CID 170977404

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-methylidenepyrrol-2-imine?
The IUPAC name of 1,5-dimethyl-3-methylidenepyrrol-2-imine (CID 143618670) is 1,5-dimethyl-3-methylidenepyrrol-2-imine.
What is the SMILES notation for 1,5-dimethyl-3-methylidenepyrrol-2-imine?
The canonical SMILES for 1,5-dimethyl-3-methylidenepyrrol-2-imine is [H]/N=C1\C(=C)C=C(C)N1C.
What is the InChIKey of 1,5-dimethyl-3-methylidenepyrrol-2-imine?
The InChIKey is MOBTZAOOQPZPRT-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H10N2/c1-5-4-6(2)9(3)7(5)8/h4,8H,1H2,2-3H3/b8-7+.
What are the key properties of 1,5-dimethyl-3-methylidenepyrrol-2-imine?
1,5-dimethyl-3-methylidenepyrrol-2-imine has a molecular weight of 122.17 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-methylidenepyrrol-2-imine is sourced from PubChem (CID 143618670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).