5-methyl-2,3-dihydro-1H-pyrrole

C5H9N — CID 19816704

IUPAC5-methyl-2,3-dihydro-1H-pyrrole
SMILESCC1=CCCN1
InChIInChI=1S/C5H9N/c1-5-3-2-4-6-5/h3,6H,2,4H2,1H3
InChIKeyMUUWQYQRBFVTIB-UHFFFAOYSA-N
MW83.13 g/mol
LogP0.88
Rot. Bonds

About 5-methyl-2,3-dihydro-1H-pyrrole

5-methyl-2,3-dihydro-1H-pyrrole (PubChem CID 19816704) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1H-pyrrole
PubChem CID19816704
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name5-methyl-2,3-dihydro-1H-pyrrole
SMILESCC1=CCCN1
InChIInChI=1S/C5H9N/c1-5-3-2-4-6-5/h3,6H,2,4H2,1H3
InChIKeyMUUWQYQRBFVTIB-UHFFFAOYSA-N
XLogP0.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-methyl-2,3-dihydro-1H-pyrrole (CID 19816704) is 5-methyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-methyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-methyl-2,3-dihydro-1H-pyrrole is CC1=CCCN1.
What is the InChIKey of 5-methyl-2,3-dihydro-1H-pyrrole?
The InChIKey is MUUWQYQRBFVTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-5-3-2-4-6-5/h3,6H,2,4H2,1H3.
What are the key properties of 5-methyl-2,3-dihydro-1H-pyrrole?
5-methyl-2,3-dihydro-1H-pyrrole has a molecular weight of 83.13 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 19816704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).