4,5-dimethyl-3,4-dihydro-2H-pyrrole

C6H11N — CID 12706237

IUPAC4,5-dimethyl-3,4-dihydro-2H-pyrrole
SMILESCC1=NCCC1C
InChIInChI=1S/C6H11N/c1-5-3-4-7-6(5)2/h5H,3-4H2,1-2H3
InChIKeyDCIDKDPJSFJYPD-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.49
Rot. Bonds

About 4,5-dimethyl-3,4-dihydro-2H-pyrrole

4,5-dimethyl-3,4-dihydro-2H-pyrrole (PubChem CID 12706237) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 4,5-dimethyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name4,5-dimethyl-3,4-dihydro-2H-pyrrole
PubChem CID12706237
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name4,5-dimethyl-3,4-dihydro-2H-pyrrole
SMILESCC1=NCCC1C
InChIInChI=1S/C6H11N/c1-5-3-4-7-6(5)2/h5H,3-4H2,1-2H3
InChIKeyDCIDKDPJSFJYPD-UHFFFAOYSA-N
XLogP1.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 4,5-dimethyl-3,4-dihydro-2H-pyrrole (CID 12706237) is 4,5-dimethyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 4,5-dimethyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 4,5-dimethyl-3,4-dihydro-2H-pyrrole is CC1=NCCC1C.
What is the InChIKey of 4,5-dimethyl-3,4-dihydro-2H-pyrrole?
The InChIKey is DCIDKDPJSFJYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-5-3-4-7-6(5)2/h5H,3-4H2,1-2H3.
What are the key properties of 4,5-dimethyl-3,4-dihydro-2H-pyrrole?
4,5-dimethyl-3,4-dihydro-2H-pyrrole has a molecular weight of 97.16 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 12706237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).