2-tert-butyl-1-ethyl-2,3-dihydropyrrole

C10H19N — CID 146435878

IUPAC2-tert-butyl-1-ethyl-2,3-dihydropyrrole
SMILESCCN1C=CCC1C(C)(C)C
InChIInChI=1S/C10H19N/c1-5-11-8-6-7-9(11)10(2,3)4/h6,8-9H,5,7H2,1-4H3
InChIKeyRCEHNEQGPIMTJD-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.64
Rot. Bonds1

About 2-tert-butyl-1-ethyl-2,3-dihydropyrrole

2-tert-butyl-1-ethyl-2,3-dihydropyrrole (PubChem CID 146435878) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-tert-butyl-1-ethyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name2-tert-butyl-1-ethyl-2,3-dihydropyrrole
PubChem CID146435878
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-tert-butyl-1-ethyl-2,3-dihydropyrrole
SMILESCCN1C=CCC1C(C)(C)C
InChIInChI=1S/C10H19N/c1-5-11-8-6-7-9(11)10(2,3)4/h6,8-9H,5,7H2,1-4H3
InChIKeyRCEHNEQGPIMTJD-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-ethyl-2,3-dihydropyrrole?
The IUPAC name of 2-tert-butyl-1-ethyl-2,3-dihydropyrrole (CID 146435878) is 2-tert-butyl-1-ethyl-2,3-dihydropyrrole.
What is the SMILES notation for 2-tert-butyl-1-ethyl-2,3-dihydropyrrole?
The canonical SMILES for 2-tert-butyl-1-ethyl-2,3-dihydropyrrole is CCN1C=CCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-ethyl-2,3-dihydropyrrole?
The InChIKey is RCEHNEQGPIMTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-5-11-8-6-7-9(11)10(2,3)4/h6,8-9H,5,7H2,1-4H3.
What are the key properties of 2-tert-butyl-1-ethyl-2,3-dihydropyrrole?
2-tert-butyl-1-ethyl-2,3-dihydropyrrole has a molecular weight of 153.27 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-ethyl-2,3-dihydropyrrole is sourced from PubChem (CID 146435878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).