(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine

C11H18N2 — CID 142055314

IUPAC(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1NC2=C(N=C[C@H](C)[C@@H]2C)C1C
InChIInChI=1S/C11H18N2/c1-6-5-12-10-8(3)9(4)13-11(10)7(6)2/h5-9,13H,1-4H3/t6-,7-,8?,9?/m0/s1
InChIKeyYVVPTBFXVVFCAH-MSIFESELSA-N
MW178.28 g/mol
LogP2.18
Rot. Bonds

About (6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine

(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 142055314) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID142055314
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1NC2=C(N=C[C@H](C)[C@@H]2C)C1C
InChIInChI=1S/C11H18N2/c1-6-5-12-10-8(3)9(4)13-11(10)7(6)2/h5-9,13H,1-4H3/t6-,7-,8?,9?/m0/s1
InChIKeyYVVPTBFXVVFCAH-MSIFESELSA-N
XLogP2.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine with MolForge

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Related Compounds

(5R)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazin-1-ium
CID 7365221
(5R)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
CID 7365222
5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
CID 69268090
2-(ethylideneamino)-N,3,4-trimethylcyclobuten-1-amine
CID 89263323
2,5-Dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine
CID 135135279
ethane;methane;(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
CID 142055313
2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
CID 163427066
(5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazin-1-ium
CID 7365224
(5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
CID 7365225
6-propan-2-yl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
CID 177053665

Frequently Asked Questions

What is the IUPAC name of (6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of (6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine (CID 142055314) is (6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for (6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for (6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine is CC1NC2=C(N=C[C@H](C)[C@@H]2C)C1C.
What is the InChIKey of (6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is YVVPTBFXVVFCAH-MSIFESELSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-5-12-10-8(3)9(4)13-11(10)7(6)2/h5-9,13H,1-4H3/t6-,7-,8?,9?/m0/s1.
What are the key properties of (6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
(6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 178.28 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-2,3,6,7-tetramethyl-2,3,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 142055314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).