2,2-dimethyl-1-oxido-1,3-dihydropyrrol-1-ium

C6H11NO — CID 11979254

IUPAC2,2-dimethyl-1-oxido-1,3-dihydropyrrol-1-ium
SMILESCC1(C)CC=C[NH+]1[O-]
InChIInChI=1S/C6H11NO/c1-6(2)4-3-5-7(6)8/h3,5,7H,4H2,1-2H3
InChIKeyCCYDPAYWQMZWMB-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.07
Rot. Bonds

About 2,2-dimethyl-1-oxido-1,3-dihydropyrrol-1-ium

2,2-dimethyl-1-oxido-1,3-dihydropyrrol-1-ium (PubChem CID 11979254) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2,2-dimethyl-1-oxido-1,3-dihydropyrrol-1-ium.

Molecular Properties

Compound Name2,2-dimethyl-1-oxido-1,3-dihydropyrrol-1-ium
PubChem CID11979254
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2,2-dimethyl-1-oxido-1,3-dihydropyrrol-1-ium
SMILESCC1(C)CC=C[NH+]1[O-]
InChIInChI=1S/C6H11NO/c1-6(2)4-3-5-7(6)8/h3,5,7H,4H2,1-2H3
InChIKeyCCYDPAYWQMZWMB-UHFFFAOYSA-N
XLogP0.07
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-oxido-1,3-dihydropyrrol-1-ium?
The IUPAC name of 2,2-dimethyl-1-oxido-1,3-dihydropyrrol-1-ium (CID 11979254) is 2,2-dimethyl-1-oxido-1,3-dihydropyrrol-1-ium.
What is the SMILES notation for 2,2-dimethyl-1-oxido-1,3-dihydropyrrol-1-ium?
The canonical SMILES for 2,2-dimethyl-1-oxido-1,3-dihydropyrrol-1-ium is CC1(C)CC=C[NH+]1[O-].
What is the InChIKey of 2,2-dimethyl-1-oxido-1,3-dihydropyrrol-1-ium?
The InChIKey is CCYDPAYWQMZWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(2)4-3-5-7(6)8/h3,5,7H,4H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-oxido-1,3-dihydropyrrol-1-ium?
2,2-dimethyl-1-oxido-1,3-dihydropyrrol-1-ium has a molecular weight of 113.16 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-oxido-1,3-dihydropyrrol-1-ium is sourced from PubChem (CID 11979254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).