(3aR,7aR)-2,3a,5,7a-tetramethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine

C11H22N2 — CID 118534905

IUPAC(3aR,7aR)-2,3a,5,7a-tetramethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
SMILESCN1CC[C@@]2(C)CN(C)C[C@@]2(C)C1
InChIInChI=1S/C11H22N2/c1-10-5-6-12(3)8-11(10,2)9-13(4)7-10/h5-9H2,1-4H3/t10-,11+/m0/s1
InChIKeyLCHXDBCNXTYPPL-WDEREUQCSA-N
MW182.31 g/mol
LogP1.28
Rot. Bonds

About (3aR,7aR)-2,3a,5,7a-tetramethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine

(3aR,7aR)-2,3a,5,7a-tetramethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine (PubChem CID 118534905) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (3aR,7aR)-2,3a,5,7a-tetramethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name(3aR,7aR)-2,3a,5,7a-tetramethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
PubChem CID118534905
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(3aR,7aR)-2,3a,5,7a-tetramethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
SMILESCN1CC[C@@]2(C)CN(C)C[C@@]2(C)C1
InChIInChI=1S/C11H22N2/c1-10-5-6-12(3)8-11(10,2)9-13(4)7-10/h5-9H2,1-4H3/t10-,11+/m0/s1
InChIKeyLCHXDBCNXTYPPL-WDEREUQCSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-2,3a,5,7a-tetramethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of (3aR,7aR)-2,3a,5,7a-tetramethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine (CID 118534905) is (3aR,7aR)-2,3a,5,7a-tetramethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for (3aR,7aR)-2,3a,5,7a-tetramethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for (3aR,7aR)-2,3a,5,7a-tetramethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine is CN1CC[C@@]2(C)CN(C)C[C@@]2(C)C1.
What is the InChIKey of (3aR,7aR)-2,3a,5,7a-tetramethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is LCHXDBCNXTYPPL-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22N2/c1-10-5-6-12(3)8-11(10,2)9-13(4)7-10/h5-9H2,1-4H3/t10-,11+/m0/s1.
What are the key properties of (3aR,7aR)-2,3a,5,7a-tetramethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
(3aR,7aR)-2,3a,5,7a-tetramethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 182.31 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-2,3a,5,7a-tetramethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 118534905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).