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

C5H9N — CID 14620016

IUPAC2-methyl-2,3-dihydro-1H-pyrrole
SMILESCC1CC=CN1
InChIInChI=1S/C5H9N/c1-5-3-2-4-6-5/h2,4-6H,3H2,1H3
InChIKeySEASAOTYMVFBMC-UHFFFAOYSA-N
MW83.13 g/mol
LogP0.88
Rot. Bonds

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

2-methyl-2,3-dihydro-1H-pyrrole (PubChem CID 14620016) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is 2-methyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-methyl-2,3-dihydro-1H-pyrrole
PubChem CID14620016
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name2-methyl-2,3-dihydro-1H-pyrrole
SMILESCC1CC=CN1
InChIInChI=1S/C5H9N/c1-5-3-2-4-6-5/h2,4-6H,3H2,1H3
InChIKeySEASAOTYMVFBMC-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 2-methyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 2-methyl-2,3-dihydro-1H-pyrrole (CID 14620016) is 2-methyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 2-methyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 2-methyl-2,3-dihydro-1H-pyrrole is CC1CC=CN1.
What is the InChIKey of 2-methyl-2,3-dihydro-1H-pyrrole?
The InChIKey is SEASAOTYMVFBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-5-3-2-4-6-5/h2,4-6H,3H2,1H3.
What are the key properties of 2-methyl-2,3-dihydro-1H-pyrrole?
2-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 2-methyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 14620016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).