2-deuterio-2,5,5-trimethyl-1-oxidopyrrolidin-1-ium

C7H15NO — CID 101037054

IUPAC2-deuterio-2,5,5-trimethyl-1-oxidopyrrolidin-1-ium
SMILES[2H]C1(C)CCC(C)(C)[NH+]1[O-]
InChIInChI=1S/C7H15NO/c1-6-4-5-7(2,3)8(6)9/h6,8H,4-5H2,1-3H3/i6D
InChIKeyXWCQVBDYYDMANJ-RAMDWTOOSA-N
MW130.21 g/mol
LogP0.33
Rot. Bonds

About 2-deuterio-2,5,5-trimethyl-1-oxidopyrrolidin-1-ium

2-deuterio-2,5,5-trimethyl-1-oxidopyrrolidin-1-ium (PubChem CID 101037054) has the molecular formula C7H15NO and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-deuterio-2,5,5-trimethyl-1-oxidopyrrolidin-1-ium.

Molecular Properties

Compound Name2-deuterio-2,5,5-trimethyl-1-oxidopyrrolidin-1-ium
PubChem CID101037054
Molecular FormulaC7H15NO
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name2-deuterio-2,5,5-trimethyl-1-oxidopyrrolidin-1-ium
SMILES[2H]C1(C)CCC(C)(C)[NH+]1[O-]
InChIInChI=1S/C7H15NO/c1-6-4-5-7(2,3)8(6)9/h6,8H,4-5H2,1-3H3/i6D
InChIKeyXWCQVBDYYDMANJ-RAMDWTOOSA-N
XLogP0.33
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2R)-1-methylcyclobutane-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2,5,5-trimethyl-1-oxidopyrrolidin-1-ium?
The IUPAC name of 2-deuterio-2,5,5-trimethyl-1-oxidopyrrolidin-1-ium (CID 101037054) is 2-deuterio-2,5,5-trimethyl-1-oxidopyrrolidin-1-ium.
What is the SMILES notation for 2-deuterio-2,5,5-trimethyl-1-oxidopyrrolidin-1-ium?
The canonical SMILES for 2-deuterio-2,5,5-trimethyl-1-oxidopyrrolidin-1-ium is [2H]C1(C)CCC(C)(C)[NH+]1[O-].
What is the InChIKey of 2-deuterio-2,5,5-trimethyl-1-oxidopyrrolidin-1-ium?
The InChIKey is XWCQVBDYYDMANJ-RAMDWTOOSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-4-5-7(2,3)8(6)9/h6,8H,4-5H2,1-3H3/i6D.
What are the key properties of 2-deuterio-2,5,5-trimethyl-1-oxidopyrrolidin-1-ium?
2-deuterio-2,5,5-trimethyl-1-oxidopyrrolidin-1-ium has a molecular weight of 130.21 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2,5,5-trimethyl-1-oxidopyrrolidin-1-ium is sourced from PubChem (CID 101037054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).