2,3,4-trimethyl-2,3-dihydro-1H-pyrrole

C7H13N — CID 59747545

IUPAC2,3,4-trimethyl-2,3-dihydro-1H-pyrrole
SMILESCC1=CNC(C)C1C
InChIInChI=1S/C7H13N/c1-5-4-8-7(3)6(5)2/h4,6-8H,1-3H3
InChIKeyUZSGZRPOSINJRS-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.52
Rot. Bonds

About 2,3,4-trimethyl-2,3-dihydro-1H-pyrrole

2,3,4-trimethyl-2,3-dihydro-1H-pyrrole (PubChem CID 59747545) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2,3,4-trimethyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2,3,4-trimethyl-2,3-dihydro-1H-pyrrole
PubChem CID59747545
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2,3,4-trimethyl-2,3-dihydro-1H-pyrrole
SMILESCC1=CNC(C)C1C
InChIInChI=1S/C7H13N/c1-5-4-8-7(3)6(5)2/h4,6-8H,1-3H3
InChIKeyUZSGZRPOSINJRS-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 2,3,4-trimethyl-2,3-dihydro-1H-pyrrole (CID 59747545) is 2,3,4-trimethyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 2,3,4-trimethyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 2,3,4-trimethyl-2,3-dihydro-1H-pyrrole is CC1=CNC(C)C1C.
What is the InChIKey of 2,3,4-trimethyl-2,3-dihydro-1H-pyrrole?
The InChIKey is UZSGZRPOSINJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-4-8-7(3)6(5)2/h4,6-8H,1-3H3.
What are the key properties of 2,3,4-trimethyl-2,3-dihydro-1H-pyrrole?
2,3,4-trimethyl-2,3-dihydro-1H-pyrrole has a molecular weight of 111.19 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 59747545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).