4,4-dimethyl-2,3-dihydropyrrole

C6H11N — CID 154518243

IUPAC4,4-dimethyl-2,3-dihydropyrrole
SMILESCC1(C)C=NCC1
InChIInChI=1S/C6H11N/c1-6(2)3-4-7-5-6/h5H,3-4H2,1-2H3
InChIKeyFUMAXFOMCUATLN-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.49
Rot. Bonds

About 4,4-dimethyl-2,3-dihydropyrrole

4,4-dimethyl-2,3-dihydropyrrole (PubChem CID 154518243) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 4,4-dimethyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name4,4-dimethyl-2,3-dihydropyrrole
PubChem CID154518243
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name4,4-dimethyl-2,3-dihydropyrrole
SMILESCC1(C)C=NCC1
InChIInChI=1S/C6H11N/c1-6(2)3-4-7-5-6/h5H,3-4H2,1-2H3
InChIKeyFUMAXFOMCUATLN-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 4,4-dimethyl-2,3-dihydropyrrole?
The IUPAC name of 4,4-dimethyl-2,3-dihydropyrrole (CID 154518243) is 4,4-dimethyl-2,3-dihydropyrrole.
What is the SMILES notation for 4,4-dimethyl-2,3-dihydropyrrole?
The canonical SMILES for 4,4-dimethyl-2,3-dihydropyrrole is CC1(C)C=NCC1.
What is the InChIKey of 4,4-dimethyl-2,3-dihydropyrrole?
The InChIKey is FUMAXFOMCUATLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6(2)3-4-7-5-6/h5H,3-4H2,1-2H3.
What are the key properties of 4,4-dimethyl-2,3-dihydropyrrole?
4,4-dimethyl-2,3-dihydropyrrole 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 4,4-dimethyl-2,3-dihydropyrrole is sourced from PubChem (CID 154518243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).