(2R,3R)-4-[(2R)-3,3-dimethyl-2H-azet-2-yl]-2,3-dimethyl-2,3-dihydro-1H-pyrrole

C11H18N2 — CID 173809492

IUPAC(2R,3R)-4-[(2R)-3,3-dimethyl-2H-azet-2-yl]-2,3-dimethyl-2,3-dihydro-1H-pyrrole
SMILESC[C@H]1[C@H](NC=C1[C@@H]2C(C=N2)(C)C)C
InChIInChI=1S/C11H18N2/c1-7-8(2)12-5-9(7)10-11(3,4)6-13-10/h5-8,10,12H,1-4H3/t7-,8+,10+/m0/s1
InChIKeyMUHLLUSNBMMLKY-QXFUBDJGSA-N
MW178.27 g/mol
LogP1.20
Rot. Bonds1

About (2R,3R)-4-[(2R)-3,3-dimethyl-2H-azet-2-yl]-2,3-dimethyl-2,3-dihydro-1H-pyrrole

(2R,3R)-4-[(2R)-3,3-dimethyl-2H-azet-2-yl]-2,3-dimethyl-2,3-dihydro-1H-pyrrole (PubChem CID 173809492) has the molecular formula C11H18N2 and a molecular weight of 178.27 g/mol. Its IUPAC name is (2R,3R)-4-[(2R)-3,3-dimethyl-2H-azet-2-yl]-2,3-dimethyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name(2R,3R)-4-[(2R)-3,3-dimethyl-2H-azet-2-yl]-2,3-dimethyl-2,3-dihydro-1H-pyrrole
PubChem CID173809492
Molecular FormulaC11H18N2
Molecular Weight178.27 g/mol
Exact Mass178.15
IUPAC Name(2R,3R)-4-[(2R)-3,3-dimethyl-2H-azet-2-yl]-2,3-dimethyl-2,3-dihydro-1H-pyrrole
SMILESC[C@H]1[C@H](NC=C1[C@@H]2C(C=N2)(C)C)C
InChIInChI=1S/C11H18N2/c1-7-8(2)12-5-9(7)10-11(3,4)6-13-10/h5-8,10,12H,1-4H3/t7-,8+,10+/m0/s1
InChIKeyMUHLLUSNBMMLKY-QXFUBDJGSA-N
XLogP1.20
TPSA24.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity276

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,3R)-4-[(2R)-3,3-dimethyl-2H-azet-2-yl]-2,3-dimethyl-2,3-dihydro-1H-pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-[(2R)-3,3-dimethyl-2H-azet-2-yl]-2,3-dimethyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of (2R,3R)-4-[(2R)-3,3-dimethyl-2H-azet-2-yl]-2,3-dimethyl-2,3-dihydro-1H-pyrrole (CID 173809492) is (2R,3R)-4-[(2R)-3,3-dimethyl-2H-azet-2-yl]-2,3-dimethyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for (2R,3R)-4-[(2R)-3,3-dimethyl-2H-azet-2-yl]-2,3-dimethyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for (2R,3R)-4-[(2R)-3,3-dimethyl-2H-azet-2-yl]-2,3-dimethyl-2,3-dihydro-1H-pyrrole is C[C@H]1[C@H](NC=C1[C@@H]2C(C=N2)(C)C)C.
What is the InChIKey of (2R,3R)-4-[(2R)-3,3-dimethyl-2H-azet-2-yl]-2,3-dimethyl-2,3-dihydro-1H-pyrrole?
The InChIKey is MUHLLUSNBMMLKY-QXFUBDJGSA-N. The full InChI is InChI=1S/C11H18N2/c1-7-8(2)12-5-9(7)10-11(3,4)6-13-10/h5-8,10,12H,1-4H3/t7-,8+,10+/m0/s1.
What are the key properties of (2R,3R)-4-[(2R)-3,3-dimethyl-2H-azet-2-yl]-2,3-dimethyl-2,3-dihydro-1H-pyrrole?
(2R,3R)-4-[(2R)-3,3-dimethyl-2H-azet-2-yl]-2,3-dimethyl-2,3-dihydro-1H-pyrrole has a molecular weight of 178.27 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-[(2R)-3,3-dimethyl-2H-azet-2-yl]-2,3-dimethyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 173809492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).