(2S)-1,2,3-trimethyl-2-propan-2-yl-3H-pyrrole

C10H19N — CID 129093500

IUPAC(2S)-1,2,3-trimethyl-2-propan-2-yl-3H-pyrrole
SMILESCC(C)[C@@]1(C)C(C)C=CN1C
InChIInChI=1S/C10H19N/c1-8(2)10(4)9(3)6-7-11(10)5/h6-9H,1-5H3/t9?,10-/m0/s1
InChIKeySMIQAFOACSURDI-AXDSSHIGSA-N
MW153.27 g/mol
LogP2.50
Rot. Bonds1

About (2S)-1,2,3-trimethyl-2-propan-2-yl-3H-pyrrole

(2S)-1,2,3-trimethyl-2-propan-2-yl-3H-pyrrole (PubChem CID 129093500) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2S)-1,2,3-trimethyl-2-propan-2-yl-3H-pyrrole.

Molecular Properties

Compound Name(2S)-1,2,3-trimethyl-2-propan-2-yl-3H-pyrrole
PubChem CID129093500
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2S)-1,2,3-trimethyl-2-propan-2-yl-3H-pyrrole
SMILESCC(C)[C@@]1(C)C(C)C=CN1C
InChIInChI=1S/C10H19N/c1-8(2)10(4)9(3)6-7-11(10)5/h6-9H,1-5H3/t9?,10-/m0/s1
InChIKeySMIQAFOACSURDI-AXDSSHIGSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetramethyldihydropyrrole
CID 129818560
(2S)-1-(2-fluoroethyl)-2-methyl-2,3-di(propan-2-yl)-3H-pyrrole
CID 129093491
1-(2-Fluoroethyl)-2,3-di(propan-2-yl)-2,3-dihydropyrrole
CID 140638390
1,2-Di(propan-2-yl)-2,3-dihydropyrrole
CID 21063760
2,2-Di(propan-2-yl)-1,3-dihydropyrrole
CID 58055981
1,3-di(propan-2-yl)-3,4-dihydro-2H-pyridine
CID 59559343
1,4-Di(propan-2-yl)-2,3,4,5-tetrahydroazepine
CID 59559386
(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole
CID 59610355
1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine
CID 59815016
1,4-ditert-butyl-3,4-dihydro-2H-pyridine
CID 59918156
(2S)-2-butan-2-yl-1-methyl-2,3-dihydropyrrole
CID 67522535
(2S)-1-methyl-2-propan-2-yl-2,3-dihydropyrrole
CID 67522587

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2,3-trimethyl-2-propan-2-yl-3H-pyrrole?
The IUPAC name of (2S)-1,2,3-trimethyl-2-propan-2-yl-3H-pyrrole (CID 129093500) is (2S)-1,2,3-trimethyl-2-propan-2-yl-3H-pyrrole.
What is the SMILES notation for (2S)-1,2,3-trimethyl-2-propan-2-yl-3H-pyrrole?
The canonical SMILES for (2S)-1,2,3-trimethyl-2-propan-2-yl-3H-pyrrole is CC(C)[C@@]1(C)C(C)C=CN1C.
What is the InChIKey of (2S)-1,2,3-trimethyl-2-propan-2-yl-3H-pyrrole?
The InChIKey is SMIQAFOACSURDI-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)10(4)9(3)6-7-11(10)5/h6-9H,1-5H3/t9?,10-/m0/s1.
What are the key properties of (2S)-1,2,3-trimethyl-2-propan-2-yl-3H-pyrrole?
(2S)-1,2,3-trimethyl-2-propan-2-yl-3H-pyrrole has a molecular weight of 153.27 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2,3-trimethyl-2-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 129093500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).