1,5-dimethyl-2,3-dihydropyrrole

C6H11N — CID 565081

IUPAC1,5-dimethyl-2,3-dihydropyrrole
SMILESCC1=CCCN1C
InChIInChI=1S/C6H11N/c1-6-4-3-5-7(6)2/h4H,3,5H2,1-2H3
InChIKeyMFGQUMAXNNHCNG-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.23
Rot. Bonds

About 1,5-dimethyl-2,3-dihydropyrrole

1,5-dimethyl-2,3-dihydropyrrole (PubChem CID 565081) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 1,5-dimethyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1,5-dimethyl-2,3-dihydropyrrole
PubChem CID565081
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name1,5-dimethyl-2,3-dihydropyrrole
SMILESCC1=CCCN1C
InChIInChI=1S/C6H11N/c1-6-4-3-5-7(6)2/h4H,3,5H2,1-2H3
InChIKeyMFGQUMAXNNHCNG-UHFFFAOYSA-N
XLogP1.23
TPSA3.24 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 ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2,3-dihydropyrrole?
The IUPAC name of 1,5-dimethyl-2,3-dihydropyrrole (CID 565081) is 1,5-dimethyl-2,3-dihydropyrrole.
What is the SMILES notation for 1,5-dimethyl-2,3-dihydropyrrole?
The canonical SMILES for 1,5-dimethyl-2,3-dihydropyrrole is CC1=CCCN1C.
What is the InChIKey of 1,5-dimethyl-2,3-dihydropyrrole?
The InChIKey is MFGQUMAXNNHCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6-4-3-5-7(6)2/h4H,3,5H2,1-2H3.
What are the key properties of 1,5-dimethyl-2,3-dihydropyrrole?
1,5-dimethyl-2,3-dihydropyrrole has a molecular weight of 97.16 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2,3-dihydropyrrole is sourced from PubChem (CID 565081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).