3,3-dimethyl-1,2-dihydropyrrole

C6H11N — CID 19839114

IUPAC3,3-dimethyl-1,2-dihydropyrrole
SMILESCC1(C)C=CNC1
InChIInChI=1S/C6H11N/c1-6(2)3-4-7-5-6/h3-4,7H,5H2,1-2H3
InChIKeyBBGNYPHMXUYYJT-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.13
Rot. Bonds

About 3,3-dimethyl-1,2-dihydropyrrole

3,3-dimethyl-1,2-dihydropyrrole (PubChem CID 19839114) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 3,3-dimethyl-1,2-dihydropyrrole.

Molecular Properties

Compound Name3,3-dimethyl-1,2-dihydropyrrole
PubChem CID19839114
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name3,3-dimethyl-1,2-dihydropyrrole
SMILESCC1(C)C=CNC1
InChIInChI=1S/C6H11N/c1-6(2)3-4-7-5-6/h3-4,7H,5H2,1-2H3
InChIKeyBBGNYPHMXUYYJT-UHFFFAOYSA-N
XLogP1.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,2-dihydropyrrole?
The IUPAC name of 3,3-dimethyl-1,2-dihydropyrrole (CID 19839114) is 3,3-dimethyl-1,2-dihydropyrrole.
What is the SMILES notation for 3,3-dimethyl-1,2-dihydropyrrole?
The canonical SMILES for 3,3-dimethyl-1,2-dihydropyrrole is CC1(C)C=CNC1.
What is the InChIKey of 3,3-dimethyl-1,2-dihydropyrrole?
The InChIKey is BBGNYPHMXUYYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6(2)3-4-7-5-6/h3-4,7H,5H2,1-2H3.
What are the key properties of 3,3-dimethyl-1,2-dihydropyrrole?
3,3-dimethyl-1,2-dihydropyrrole has a molecular weight of 97.16 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,2-dihydropyrrole is sourced from PubChem (CID 19839114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).