3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrrole

C12H21NO — CID 135194036

IUPAC3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrrole
SMILESCC[C@@H](C)Oc1ccn(C(C)(C)C)c1
InChIInChI=1S/C12H21NO/c1-6-10(2)14-11-7-8-13(9-11)12(3,4)5/h7-10H,6H2,1-5H3/t10-/m1/s1
InChIKeyHAKMHGRACLOANU-SNVBAGLBSA-N
MW195.31 g/mol
LogP3.42
Rot. Bonds3

About 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrrole

3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrrole (PubChem CID 135194036) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrrole.

Molecular Properties

Compound Name3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrrole
PubChem CID135194036
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrrole
SMILESCC[C@@H](C)Oc1ccn(C(C)(C)C)c1
InChIInChI=1S/C12H21NO/c1-6-10(2)14-11-7-8-13(9-11)12(3,4)5/h7-10H,6H2,1-5H3/t10-/m1/s1
InChIKeyHAKMHGRACLOANU-SNVBAGLBSA-N
XLogP3.42
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yloxy-1-methylpyridin-2-one
CID 163998897
(1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine
CID 78937309
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
4-butan-2-yloxyaniline
CID 13097722
4-butan-2-yloxybenzoic acid
CID 5132695
4-butan-2-yloxy-N-[2-(4-tert-butylphenoxy)propyl]aniline
CID 54802739
2-bromo-4-butan-2-yloxy-1-methylbenzene
CID 127004858
4-butan-2-yloxy-N-methylaniline
CID 54803415
1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene
CID 70880864
bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone
CID 131860857
1-butan-2-yloxy-3,5-bis(trifluoromethyl)benzene
CID 145030942
(4-butan-2-yloxyphenyl)hydrazine
CID 83814217

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrrole?
The IUPAC name of 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrrole (CID 135194036) is 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrrole.
What is the SMILES notation for 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrrole?
The canonical SMILES for 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrrole is CC[C@@H](C)Oc1ccn(C(C)(C)C)c1.
What is the InChIKey of 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrrole?
The InChIKey is HAKMHGRACLOANU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO/c1-6-10(2)14-11-7-8-13(9-11)12(3,4)5/h7-10H,6H2,1-5H3/t10-/m1/s1.
What are the key properties of 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrrole?
3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrrole has a molecular weight of 195.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrrole is sourced from PubChem (CID 135194036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).