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

C6H11N — CID 5323987

IUPAC3,5-dimethyl-3,4-dihydro-2H-pyrrole
SMILESCC1=NCC(C)C1
InChIInChI=1S/C6H11N/c1-5-3-6(2)7-4-5/h5H,3-4H2,1-2H3
InChIKeyYONKKACQAULVDZ-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.49
Rot. Bonds

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

3,5-dimethyl-3,4-dihydro-2H-pyrrole (PubChem CID 5323987) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 3,5-dimethyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name3,5-dimethyl-3,4-dihydro-2H-pyrrole
PubChem CID5323987
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name3,5-dimethyl-3,4-dihydro-2H-pyrrole
SMILESCC1=NCC(C)C1
InChIInChI=1S/C6H11N/c1-5-3-6(2)7-4-5/h5H,3-4H2,1-2H3
InChIKeyYONKKACQAULVDZ-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 3,5-dimethyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 3,5-dimethyl-3,4-dihydro-2H-pyrrole (CID 5323987) is 3,5-dimethyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 3,5-dimethyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 3,5-dimethyl-3,4-dihydro-2H-pyrrole is CC1=NCC(C)C1.
What is the InChIKey of 3,5-dimethyl-3,4-dihydro-2H-pyrrole?
The InChIKey is YONKKACQAULVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-5-3-6(2)7-4-5/h5H,3-4H2,1-2H3.
What are the key properties of 3,5-dimethyl-3,4-dihydro-2H-pyrrole?
3,5-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 3,5-dimethyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 5323987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).