2,2-dimethyl-3,4-dihydropyrrole

C6H11N — CID 10942349

IUPAC2,2-dimethyl-3,4-dihydropyrrole
SMILESCC1(C)CCC=N1
InChIInChI=1S/C6H11N/c1-6(2)4-3-5-7-6/h5H,3-4H2,1-2H3
InChIKeyDVPIKQUDWCILSQ-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.63
Rot. Bonds

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

2,2-dimethyl-3,4-dihydropyrrole (PubChem CID 10942349) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydropyrrole.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydropyrrole
PubChem CID10942349
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name2,2-dimethyl-3,4-dihydropyrrole
SMILESCC1(C)CCC=N1
InChIInChI=1S/C6H11N/c1-6(2)4-3-5-7-6/h5H,3-4H2,1-2H3
InChIKeyDVPIKQUDWCILSQ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4-dihydropyrrole?
The IUPAC name of 2,2-dimethyl-3,4-dihydropyrrole (CID 10942349) is 2,2-dimethyl-3,4-dihydropyrrole.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydropyrrole?
The canonical SMILES for 2,2-dimethyl-3,4-dihydropyrrole is CC1(C)CCC=N1.
What is the InChIKey of 2,2-dimethyl-3,4-dihydropyrrole?
The InChIKey is DVPIKQUDWCILSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6(2)4-3-5-7-6/h5H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,4-dihydropyrrole?
2,2-dimethyl-3,4-dihydropyrrole has a molecular weight of 97.16 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydropyrrole is sourced from PubChem (CID 10942349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).