(2R)-1-tert-butyl-2-propan-2-yl-2,5-dihydropyrrole

C11H21N — CID 146518077

IUPAC(2R)-1-tert-butyl-2-propan-2-yl-2,5-dihydropyrrole
SMILESCC(C)[C@@H]1C=CCN1C(C)(C)C
InChIInChI=1S/C11H21N/c1-9(2)10-7-6-8-12(10)11(3,4)5/h6-7,9-10H,8H2,1-5H3/t10-/m0/s1
InChIKeyFVSIAJMKYFJIBV-JTQLQIEISA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds1

About (2R)-1-tert-butyl-2-propan-2-yl-2,5-dihydropyrrole

(2R)-1-tert-butyl-2-propan-2-yl-2,5-dihydropyrrole (PubChem CID 146518077) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2R)-1-tert-butyl-2-propan-2-yl-2,5-dihydropyrrole.

Molecular Properties

Compound Name(2R)-1-tert-butyl-2-propan-2-yl-2,5-dihydropyrrole
PubChem CID146518077
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2R)-1-tert-butyl-2-propan-2-yl-2,5-dihydropyrrole
SMILESCC(C)[C@@H]1C=CCN1C(C)(C)C
InChIInChI=1S/C11H21N/c1-9(2)10-7-6-8-12(10)11(3,4)5/h6-7,9-10H,8H2,1-5H3/t10-/m0/s1
InChIKeyFVSIAJMKYFJIBV-JTQLQIEISA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-1-tert-butyl-2-propan-2-yl-2,5-dihydropyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-2,5-dihydropyrrol-2-ol
CID 130435692
(2S)-2-tert-butyl-1-methyl-2,5-dihydropyrrole
CID 89477402
3-tert-butyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 58403915
1-tert-butyl-2-methylaziridine
CID 15557486
2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol
CID 126624394
1-tert-butyl-4-propan-2-yl-3,4-dihydro-2H-pyridine
CID 139428055
[4-(5-methylfuran-2-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone
CID 131918641
1-cyclopropyl-4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)pyridin-2-one
CID 172671068
1-tert-butyl-2H-pyridine
CID 54401784
1-tert-butyl-2,4-dimethylpyrrolidine
CID 72522507
2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone
CID 126426546
(2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide
CID 126429373

Frequently Asked Questions

What is the IUPAC name of (2R)-1-tert-butyl-2-propan-2-yl-2,5-dihydropyrrole?
The IUPAC name of (2R)-1-tert-butyl-2-propan-2-yl-2,5-dihydropyrrole (CID 146518077) is (2R)-1-tert-butyl-2-propan-2-yl-2,5-dihydropyrrole.
What is the SMILES notation for (2R)-1-tert-butyl-2-propan-2-yl-2,5-dihydropyrrole?
The canonical SMILES for (2R)-1-tert-butyl-2-propan-2-yl-2,5-dihydropyrrole is CC(C)[C@@H]1C=CCN1C(C)(C)C.
What is the InChIKey of (2R)-1-tert-butyl-2-propan-2-yl-2,5-dihydropyrrole?
The InChIKey is FVSIAJMKYFJIBV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)10-7-6-8-12(10)11(3,4)5/h6-7,9-10H,8H2,1-5H3/t10-/m0/s1.
What are the key properties of (2R)-1-tert-butyl-2-propan-2-yl-2,5-dihydropyrrole?
(2R)-1-tert-butyl-2-propan-2-yl-2,5-dihydropyrrole has a molecular weight of 167.30 g/mol, XLogP of 2.68, 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-propan-2-yl-2,5-dihydropyrrole is sourced from PubChem (CID 146518077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).