(2R)-1-tert-butyl-2-ethyl-2,3-dihydropyrrole

C10H19N — CID 141174047

IUPAC(2R)-1-tert-butyl-2-ethyl-2,3-dihydropyrrole
SMILESCC[C@@H]1CC=CN1C(C)(C)C
InChIInChI=1S/C10H19N/c1-5-9-7-6-8-11(9)10(2,3)4/h6,8-9H,5,7H2,1-4H3/t9-/m1/s1
InChIKeyXPUQBKCIPCHLEK-SECBINFHSA-N
MW153.27 g/mol
LogP2.78
Rot. Bonds1

About (2R)-1-tert-butyl-2-ethyl-2,3-dihydropyrrole

(2R)-1-tert-butyl-2-ethyl-2,3-dihydropyrrole (PubChem CID 141174047) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2R)-1-tert-butyl-2-ethyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name(2R)-1-tert-butyl-2-ethyl-2,3-dihydropyrrole
PubChem CID141174047
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2R)-1-tert-butyl-2-ethyl-2,3-dihydropyrrole
SMILESCC[C@@H]1CC=CN1C(C)(C)C
InChIInChI=1S/C10H19N/c1-5-9-7-6-8-11(9)10(2,3)4/h6,8-9H,5,7H2,1-4H3/t9-/m1/s1
InChIKeyXPUQBKCIPCHLEK-SECBINFHSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-tert-butyl-2-ethyl-2,3-dihydropyrrole?
The IUPAC name of (2R)-1-tert-butyl-2-ethyl-2,3-dihydropyrrole (CID 141174047) is (2R)-1-tert-butyl-2-ethyl-2,3-dihydropyrrole.
What is the SMILES notation for (2R)-1-tert-butyl-2-ethyl-2,3-dihydropyrrole?
The canonical SMILES for (2R)-1-tert-butyl-2-ethyl-2,3-dihydropyrrole is CC[C@@H]1CC=CN1C(C)(C)C.
What is the InChIKey of (2R)-1-tert-butyl-2-ethyl-2,3-dihydropyrrole?
The InChIKey is XPUQBKCIPCHLEK-SECBINFHSA-N. The full InChI is InChI=1S/C10H19N/c1-5-9-7-6-8-11(9)10(2,3)4/h6,8-9H,5,7H2,1-4H3/t9-/m1/s1.
What are the key properties of (2R)-1-tert-butyl-2-ethyl-2,3-dihydropyrrole?
(2R)-1-tert-butyl-2-ethyl-2,3-dihydropyrrole has a molecular weight of 153.27 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-tert-butyl-2-ethyl-2,3-dihydropyrrole is sourced from PubChem (CID 141174047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).