5-ethyl-1-methyl-3-methylidenepyrrol-2-imine

C8H12N2 — CID 145221788

IUPAC5-ethyl-1-methyl-3-methylidenepyrrol-2-imine
SMILES[H]/N=C1\C(=C)C=C(CC)N1C
InChIInChI=1S/C8H12N2/c1-4-7-5-6(2)8(9)10(7)3/h5,9H,2,4H2,1,3H3/b9-8+
InChIKeyHJIYTVRJGBUWBE-CMDGGOBGSA-N
MW136.20 g/mol
LogP1.76
Rot. Bonds1

About 5-ethyl-1-methyl-3-methylidenepyrrol-2-imine

5-ethyl-1-methyl-3-methylidenepyrrol-2-imine (PubChem CID 145221788) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 5-ethyl-1-methyl-3-methylidenepyrrol-2-imine.

Molecular Properties

Compound Name5-ethyl-1-methyl-3-methylidenepyrrol-2-imine
PubChem CID145221788
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name5-ethyl-1-methyl-3-methylidenepyrrol-2-imine
SMILES[H]/N=C1\C(=C)C=C(CC)N1C
InChIInChI=1S/C8H12N2/c1-4-7-5-6(2)8(9)10(7)3/h5,9H,2,4H2,1,3H3/b9-8+
InChIKeyHJIYTVRJGBUWBE-CMDGGOBGSA-N
XLogP1.76
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.76
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
1,2,4-trimethyl-3-tritio-6H-pyrrolo[2,3-b]pyridin-6-ide;yttrium
CID 59708866
4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 59708926
N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide
CID 123226625
5-ethyl-3-methylidene-N-prop-1-en-2-ylpyrrol-2-amine
CID 123749804
N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide
CID 123919129
1-Ethanimidoyl-5-ethyl-6-iminopyridin-3-amine
CID 130256682
(3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine
CID 137291304
1,5-Dimethyl-3-methylidenepyrrol-2-imine
CID 143618670
ethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide
CID 144559577
1-(2,3,4-trimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine
CID 145076280
1-Methanimidoyl-6-propan-2-ylpyridin-2-imine
CID 145187993

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-3-methylidenepyrrol-2-imine?
The IUPAC name of 5-ethyl-1-methyl-3-methylidenepyrrol-2-imine (CID 145221788) is 5-ethyl-1-methyl-3-methylidenepyrrol-2-imine.
What is the SMILES notation for 5-ethyl-1-methyl-3-methylidenepyrrol-2-imine?
The canonical SMILES for 5-ethyl-1-methyl-3-methylidenepyrrol-2-imine is [H]/N=C1\C(=C)C=C(CC)N1C.
What is the InChIKey of 5-ethyl-1-methyl-3-methylidenepyrrol-2-imine?
The InChIKey is HJIYTVRJGBUWBE-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-7-5-6(2)8(9)10(7)3/h5,9H,2,4H2,1,3H3/b9-8+.
What are the key properties of 5-ethyl-1-methyl-3-methylidenepyrrol-2-imine?
5-ethyl-1-methyl-3-methylidenepyrrol-2-imine has a molecular weight of 136.20 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-3-methylidenepyrrol-2-imine is sourced from PubChem (CID 145221788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).