2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole

C9H15N — CID 175931315

IUPAC2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole
SMILES[2H]C([2H])([2H])C(C)n1c(C)ccc1C
InChIInChI=1S/C9H15N/c1-7(2)10-8(3)5-6-9(10)4/h5-7H,1-4H3/i1D3
InChIKeyNWASJYBEIXGELA-FIBGUPNXSA-N
MW140.24 g/mol
LogP2.69
Rot. Bonds2

About 2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole

2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole (PubChem CID 175931315) has the molecular formula C9H15N and a molecular weight of 140.24 g/mol. Its IUPAC name is 2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole
PubChem CID175931315
Molecular FormulaC9H15N
Molecular Weight140.24 g/mol
Exact Mass140.14
IUPAC Name2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole
SMILES[2H]C([2H])([2H])C(C)n1c(C)ccc1C
InChIInChI=1S/C9H15N/c1-7(2)10-8(3)5-6-9(10)4/h5-7H,1-4H3/i1D3
InChIKeyNWASJYBEIXGELA-FIBGUPNXSA-N
XLogP2.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole?
The IUPAC name of 2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole (CID 175931315) is 2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole.
What is the SMILES notation for 2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole?
The canonical SMILES for 2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole is [2H]C([2H])([2H])C(C)n1c(C)ccc1C.
What is the InChIKey of 2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole?
The InChIKey is NWASJYBEIXGELA-FIBGUPNXSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)10-8(3)5-6-9(10)4/h5-7H,1-4H3/i1D3.
What are the key properties of 2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole?
2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole has a molecular weight of 140.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole is sourced from PubChem (CID 175931315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).