4,4,5-trimethyl-2,3-dihydropyrrole

C7H13N — CID 59294321

IUPAC4,4,5-trimethyl-2,3-dihydropyrrole
SMILESCC1=NCCC1(C)C
InChIInChI=1S/C7H13N/c1-6-7(2,3)4-5-8-6/h4-5H2,1-3H3
InChIKeyNJGXRPJTTPFGJA-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.88
Rot. Bonds

About 4,4,5-trimethyl-2,3-dihydropyrrole

4,4,5-trimethyl-2,3-dihydropyrrole (PubChem CID 59294321) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 4,4,5-trimethyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name4,4,5-trimethyl-2,3-dihydropyrrole
PubChem CID59294321
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name4,4,5-trimethyl-2,3-dihydropyrrole
SMILESCC1=NCCC1(C)C
InChIInChI=1S/C7H13N/c1-6-7(2,3)4-5-8-6/h4-5H2,1-3H3
InChIKeyNJGXRPJTTPFGJA-UHFFFAOYSA-N
XLogP1.88
TPSA12.36 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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethyl-2,3-dihydropyrrole?
The IUPAC name of 4,4,5-trimethyl-2,3-dihydropyrrole (CID 59294321) is 4,4,5-trimethyl-2,3-dihydropyrrole.
What is the SMILES notation for 4,4,5-trimethyl-2,3-dihydropyrrole?
The canonical SMILES for 4,4,5-trimethyl-2,3-dihydropyrrole is CC1=NCCC1(C)C.
What is the InChIKey of 4,4,5-trimethyl-2,3-dihydropyrrole?
The InChIKey is NJGXRPJTTPFGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6-7(2,3)4-5-8-6/h4-5H2,1-3H3.
What are the key properties of 4,4,5-trimethyl-2,3-dihydropyrrole?
4,4,5-trimethyl-2,3-dihydropyrrole has a molecular weight of 111.19 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-2,3-dihydropyrrole is sourced from PubChem (CID 59294321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).