(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole

C6H11N — CID 59584722

IUPAC(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole
SMILESC[C@@H]1C=NC[C@@H]1C
InChIInChI=1S/C6H11N/c1-5-3-7-4-6(5)2/h3,5-6H,4H2,1-2H3/t5-,6+/m1/s1
InChIKeyTYBBSFCJIOKPBK-RITPCOANSA-N
MW97.16 g/mol
LogP1.34
Rot. Bonds

About (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole

(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole (PubChem CID 59584722) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole
PubChem CID59584722
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole
SMILESC[C@@H]1C=NC[C@@H]1C
InChIInChI=1S/C6H11N/c1-5-3-7-4-6(5)2/h3,5-6H,4H2,1-2H3/t5-,6+/m1/s1
InChIKeyTYBBSFCJIOKPBK-RITPCOANSA-N
XLogP1.34
TPSA12.36 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 ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole (CID 59584722) is (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole is C[C@@H]1C=NC[C@@H]1C.
What is the InChIKey of (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole?
The InChIKey is TYBBSFCJIOKPBK-RITPCOANSA-N. The full InChI is InChI=1S/C6H11N/c1-5-3-7-4-6(5)2/h3,5-6H,4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole?
(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole has a molecular weight of 97.16 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 59584722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).