(3S)-3-methyl-2,3-dihydro-1H-pyrrole

C5H9N — CID 154533641

IUPAC(3S)-3-methyl-2,3-dihydro-1H-pyrrole
SMILESC[C@H]1C=CNC1
InChIInChI=1S/C5H9N/c1-5-2-3-6-4-5/h2-3,5-6H,4H2,1H3/t5-/m0/s1
InChIKeyVLBGIFUKQYTZCN-YFKPBYRVSA-N
MW83.13 g/mol
LogP0.74
Rot. Bonds

About (3S)-3-methyl-2,3-dihydro-1H-pyrrole

(3S)-3-methyl-2,3-dihydro-1H-pyrrole (PubChem CID 154533641) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is (3S)-3-methyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name(3S)-3-methyl-2,3-dihydro-1H-pyrrole
PubChem CID154533641
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name(3S)-3-methyl-2,3-dihydro-1H-pyrrole
SMILESC[C@H]1C=CNC1
InChIInChI=1S/C5H9N/c1-5-2-3-6-4-5/h2-3,5-6H,4H2,1H3/t5-/m0/s1
InChIKeyVLBGIFUKQYTZCN-YFKPBYRVSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of (3S)-3-methyl-2,3-dihydro-1H-pyrrole (CID 154533641) is (3S)-3-methyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for (3S)-3-methyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for (3S)-3-methyl-2,3-dihydro-1H-pyrrole is C[C@H]1C=CNC1.
What is the InChIKey of (3S)-3-methyl-2,3-dihydro-1H-pyrrole?
The InChIKey is VLBGIFUKQYTZCN-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H9N/c1-5-2-3-6-4-5/h2-3,5-6H,4H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-3-methyl-2,3-dihydro-1H-pyrrole?
(3S)-3-methyl-2,3-dihydro-1H-pyrrole has a molecular weight of 83.13 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 154533641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).