(2S,5R)-2,3,4,5-tetramethyl-2,5-dihydro-1H-pyrrole

C8H15N — CID 14248784

IUPAC(2S,5R)-2,3,4,5-tetramethyl-2,5-dihydro-1H-pyrrole
SMILESCC1=C(C)[C@@H](C)N[C@H]1C
InChIInChI=1S/C8H15N/c1-5-6(2)8(4)9-7(5)3/h7-9H,1-4H3/t7-,8+
InChIKeyYNDWDJCHVNCDPQ-OCAPTIKFSA-N
MW125.21 g/mol
LogP1.70
Rot. Bonds

About (2S,5R)-2,3,4,5-tetramethyl-2,5-dihydro-1H-pyrrole

(2S,5R)-2,3,4,5-tetramethyl-2,5-dihydro-1H-pyrrole (PubChem CID 14248784) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (2S,5R)-2,3,4,5-tetramethyl-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name(2S,5R)-2,3,4,5-tetramethyl-2,5-dihydro-1H-pyrrole
PubChem CID14248784
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(2S,5R)-2,3,4,5-tetramethyl-2,5-dihydro-1H-pyrrole
SMILESCC1=C(C)[C@@H](C)N[C@H]1C
InChIInChI=1S/C8H15N/c1-5-6(2)8(4)9-7(5)3/h7-9H,1-4H3/t7-,8+
InChIKeyYNDWDJCHVNCDPQ-OCAPTIKFSA-N
XLogP1.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.70
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)-2,3,4,5-tetramethyl-2,5-dihydro-1H-pyrrole?
The IUPAC name of (2S,5R)-2,3,4,5-tetramethyl-2,5-dihydro-1H-pyrrole (CID 14248784) is (2S,5R)-2,3,4,5-tetramethyl-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for (2S,5R)-2,3,4,5-tetramethyl-2,5-dihydro-1H-pyrrole?
The canonical SMILES for (2S,5R)-2,3,4,5-tetramethyl-2,5-dihydro-1H-pyrrole is CC1=C(C)[C@@H](C)N[C@H]1C.
What is the InChIKey of (2S,5R)-2,3,4,5-tetramethyl-2,5-dihydro-1H-pyrrole?
The InChIKey is YNDWDJCHVNCDPQ-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H15N/c1-5-6(2)8(4)9-7(5)3/h7-9H,1-4H3/t7-,8+.
What are the key properties of (2S,5R)-2,3,4,5-tetramethyl-2,5-dihydro-1H-pyrrole?
(2S,5R)-2,3,4,5-tetramethyl-2,5-dihydro-1H-pyrrole has a molecular weight of 125.21 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,3,4,5-tetramethyl-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 14248784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).