3,4-dimethyl-2,3-dihydro-1H-pyrrole

C6H11N — CID 147795775

IUPAC3,4-dimethyl-2,3-dihydro-1H-pyrrole
SMILESCC1=CNCC1C
InChIInChI=1S/C6H11N/c1-5-3-7-4-6(5)2/h3,6-7H,4H2,1-2H3
InChIKeyHKNNPFFJPQEOAJ-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.13
Rot. Bonds

About 3,4-dimethyl-2,3-dihydro-1H-pyrrole

3,4-dimethyl-2,3-dihydro-1H-pyrrole (PubChem CID 147795775) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 3,4-dimethyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3,4-dimethyl-2,3-dihydro-1H-pyrrole
PubChem CID147795775
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name3,4-dimethyl-2,3-dihydro-1H-pyrrole
SMILESCC1=CNCC1C
InChIInChI=1S/C6H11N/c1-5-3-7-4-6(5)2/h3,6-7H,4H2,1-2H3
InChIKeyHKNNPFFJPQEOAJ-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 3,4-dimethyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 3,4-dimethyl-2,3-dihydro-1H-pyrrole (CID 147795775) is 3,4-dimethyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 3,4-dimethyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 3,4-dimethyl-2,3-dihydro-1H-pyrrole is CC1=CNCC1C.
What is the InChIKey of 3,4-dimethyl-2,3-dihydro-1H-pyrrole?
The InChIKey is HKNNPFFJPQEOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-5-3-7-4-6(5)2/h3,6-7H,4H2,1-2H3.
What are the key properties of 3,4-dimethyl-2,3-dihydro-1H-pyrrole?
3,4-dimethyl-2,3-dihydro-1H-pyrrole 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 3,4-dimethyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 147795775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).