(2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole

C6H11N — CID 7003737

IUPAC(2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole
SMILESC[C@@H]1C=C[C@H](C)N1
InChIInChI=1S/C6H11N/c1-5-3-4-6(2)7-5/h3-7H,1-2H3/t5-,6+
InChIKeyTXQDHQBSNAJSHQ-OLQVQODUSA-N
MW97.16 g/mol
LogP0.92
Rot. Bonds

About (2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole

(2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole (PubChem CID 7003737) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole
PubChem CID7003737
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole
SMILESC[C@@H]1C=C[C@H](C)N1
InChIInChI=1S/C6H11N/c1-5-3-4-6(2)7-5/h3-7H,1-2H3/t5-,6+
InChIKeyTXQDHQBSNAJSHQ-OLQVQODUSA-N
XLogP0.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole?
The IUPAC name of (2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole (CID 7003737) is (2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for (2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole?
The canonical SMILES for (2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole is C[C@@H]1C=C[C@H](C)N1.
What is the InChIKey of (2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole?
The InChIKey is TXQDHQBSNAJSHQ-OLQVQODUSA-N. The full InChI is InChI=1S/C6H11N/c1-5-3-4-6(2)7-5/h3-7H,1-2H3/t5-,6+.
What are the key properties of (2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole?
(2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole has a molecular weight of 97.16 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 7003737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).