1,2,3-trimethyl-2,3-dihydropyrrole

C7H13N — CID 22893886

IUPAC1,2,3-trimethyl-2,3-dihydropyrrole
SMILESCC1C=CN(C)C1C
InChIInChI=1S/C7H13N/c1-6-4-5-8(3)7(6)2/h4-7H,1-3H3
InChIKeyONCZDGIVDLLNKD-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.47
Rot. Bonds

About 1,2,3-trimethyl-2,3-dihydropyrrole

1,2,3-trimethyl-2,3-dihydropyrrole (PubChem CID 22893886) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1,2,3-trimethyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1,2,3-trimethyl-2,3-dihydropyrrole
PubChem CID22893886
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1,2,3-trimethyl-2,3-dihydropyrrole
SMILESCC1C=CN(C)C1C
InChIInChI=1S/C7H13N/c1-6-4-5-8(3)7(6)2/h4-7H,1-3H3
InChIKeyONCZDGIVDLLNKD-UHFFFAOYSA-N
XLogP1.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetramethyldihydropyrrole
CID 129818560
1-Propan-2-yl-2,3-dihydropyrrole
CID 19819183
2,3-dimethyl-2,3-dihydro-1H-pyrrole
CID 20227776
1,2-Dimethyl-2,3-dihydropyrrole
CID 20356110
1,2,3-trimethyl-3,4-dihydro-2H-pyridine
CID 20616045
1,2,4-trimethyl-3,4-dihydro-2H-pyridine
CID 20616047
1,2-Di(propan-2-yl)-2,3-dihydropyrrole
CID 21063760
1,3-dimethyl-3,4-dihydro-2H-pyridine
CID 21624309
2-Methyl-1-propyl-2,3-dihydropyrrole
CID 22419373
1,4-dimethyl-3,4-dihydro-2H-pyridine
CID 54424737
(2S,3S)-2,3-dimethyl-2,3-dihydro-1H-pyrrole
CID 58811647
(2R,3R)-1,2,3-trimethyl-2,3-dihydropyrrole
CID 59379147

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-2,3-dihydropyrrole?
The IUPAC name of 1,2,3-trimethyl-2,3-dihydropyrrole (CID 22893886) is 1,2,3-trimethyl-2,3-dihydropyrrole.
What is the SMILES notation for 1,2,3-trimethyl-2,3-dihydropyrrole?
The canonical SMILES for 1,2,3-trimethyl-2,3-dihydropyrrole is CC1C=CN(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-2,3-dihydropyrrole?
The InChIKey is ONCZDGIVDLLNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6-4-5-8(3)7(6)2/h4-7H,1-3H3.
What are the key properties of 1,2,3-trimethyl-2,3-dihydropyrrole?
1,2,3-trimethyl-2,3-dihydropyrrole has a molecular weight of 111.19 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-2,3-dihydropyrrole is sourced from PubChem (CID 22893886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).