4-ethyl-3,5-dimethyl-2,3-dihydro-1H-pyrrole

C8H15N — CID 55286325

IUPAC4-ethyl-3,5-dimethyl-2,3-dihydro-1H-pyrrole
SMILESCCC1=C(C)NCC1C
InChIInChI=1S/C8H15N/c1-4-8-6(2)5-9-7(8)3/h6,9H,4-5H2,1-3H3
InChIKeySNJWFCJDNHVNSQ-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.91
Rot. Bonds1

About 4-ethyl-3,5-dimethyl-2,3-dihydro-1H-pyrrole

4-ethyl-3,5-dimethyl-2,3-dihydro-1H-pyrrole (PubChem CID 55286325) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 4-ethyl-3,5-dimethyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name4-ethyl-3,5-dimethyl-2,3-dihydro-1H-pyrrole
PubChem CID55286325
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name4-ethyl-3,5-dimethyl-2,3-dihydro-1H-pyrrole
SMILESCCC1=C(C)NCC1C
InChIInChI=1S/C8H15N/c1-4-8-6(2)5-9-7(8)3/h6,9H,4-5H2,1-3H3
InChIKeySNJWFCJDNHVNSQ-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dimethylpyrroline
CID 21129173
2,3,4,5-Tetramethyl-1,2-dihydropyrrol-3-ide;yttrium
CID 57564187
2,3,4,5-tetramethyl-2,3-dihydro-1H-pyrrole
CID 57564188
5,6-Di(propan-2-yl)-1,2,3,4-tetrahydropyridine
CID 57632390
4,5-di(propan-2-yl)-2,3-dihydro-1H-pyrrole
CID 57632391
4,5-diethyl-2-methyl-2,3-dihydro-1H-pyrrole
CID 59163899
4,5-ditert-butyl-2,3-dihydro-1H-pyrrole
CID 59206753
2,3,3-Trimethyl-4,5-di(propan-2-yl)-1,2-dihydropyrrole
CID 59435173
3,5-ditert-butyl-4-propan-2-yl-2,3-dihydro-1H-pyrrole
CID 59616691
3-Methylidene-4,5-di(propan-2-yl)-1,2-dihydropyrrole
CID 60125827
N-butyl-2-ethyl-3,4-di(propan-2-yl)cyclopenta-1,3-dien-1-amine
CID 67593381
4-ethyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole
CID 68063169

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,5-dimethyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 4-ethyl-3,5-dimethyl-2,3-dihydro-1H-pyrrole (CID 55286325) is 4-ethyl-3,5-dimethyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 4-ethyl-3,5-dimethyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 4-ethyl-3,5-dimethyl-2,3-dihydro-1H-pyrrole is CCC1=C(C)NCC1C.
What is the InChIKey of 4-ethyl-3,5-dimethyl-2,3-dihydro-1H-pyrrole?
The InChIKey is SNJWFCJDNHVNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-4-8-6(2)5-9-7(8)3/h6,9H,4-5H2,1-3H3.
What are the key properties of 4-ethyl-3,5-dimethyl-2,3-dihydro-1H-pyrrole?
4-ethyl-3,5-dimethyl-2,3-dihydro-1H-pyrrole has a molecular weight of 125.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,5-dimethyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 55286325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).