2-ethyl-4-methyl-2,5-dihydro-1H-pyrrole

C7H13N — CID 129143971

IUPAC2-ethyl-4-methyl-2,5-dihydro-1H-pyrrole
SMILESCCC1C=C(C)CN1
InChIInChI=1S/C7H13N/c1-3-7-4-6(2)5-8-7/h4,7-8H,3,5H2,1-2H3
InChIKeyOCORKVIUQAIWBC-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.31
Rot. Bonds1

About 2-ethyl-4-methyl-2,5-dihydro-1H-pyrrole

2-ethyl-4-methyl-2,5-dihydro-1H-pyrrole (PubChem CID 129143971) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2-ethyl-4-methyl-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-ethyl-4-methyl-2,5-dihydro-1H-pyrrole
PubChem CID129143971
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2-ethyl-4-methyl-2,5-dihydro-1H-pyrrole
SMILESCCC1C=C(C)CN1
InChIInChI=1S/C7H13N/c1-3-7-4-6(2)5-8-7/h4,7-8H,3,5H2,1-2H3
InChIKeyOCORKVIUQAIWBC-UHFFFAOYSA-N
XLogP1.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2,3-dihydro-1H-pyrazol-5-amine
CID 86340976
4,5-diethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole
CID 123743806
5-methyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole
CID 123439565
4,5-dimethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole;ethane
CID 144563237
(3R,4S)-3-ethyl-1,4-dimethylcyclopentene
CID 163464724
2-ethyl-1,4-dimethyl-2,3-dihydropyrrole
CID 135288723
5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene
CID 142845653
1-ethyl-2,3-dihydro-1H-isoindole-5,6-diol
CID 22166036
1-methyl-3-propylcyclobutene
CID 14434507
3-ethyl-1,5-dimethylcyclohexene
CID 123667989
(4E)-1,3-dimethyl-4-propylidenecyclopentene
CID 22236779
1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride
CID 153364867

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2-ethyl-4-methyl-2,5-dihydro-1H-pyrrole (CID 129143971) is 2-ethyl-4-methyl-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2-ethyl-4-methyl-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2-ethyl-4-methyl-2,5-dihydro-1H-pyrrole is CCC1C=C(C)CN1.
What is the InChIKey of 2-ethyl-4-methyl-2,5-dihydro-1H-pyrrole?
The InChIKey is OCORKVIUQAIWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-3-7-4-6(2)5-8-7/h4,7-8H,3,5H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-2,5-dihydro-1H-pyrrole?
2-ethyl-4-methyl-2,5-dihydro-1H-pyrrole has a molecular weight of 111.19 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 129143971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).