(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine

C15H22N2 — CID 11842673

IUPAC(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
SMILESc1ccc(CCN2CC[C@@H]3CCN[C@@H]3C2)cc1
InChIInChI=1S/C15H22N2/c1-2-4-13(5-3-1)7-10-17-11-8-14-6-9-16-15(14)12-17/h1-5,14-16H,6-12H2/t14-,15+/m0/s1
InChIKeyODYLTZRECSDWCJ-LSDHHAIUSA-N
MW230.36 g/mol
LogP1.91
Rot. Bonds3

About (3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine

(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine (PubChem CID 11842673) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is (3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
PubChem CID11842673
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
SMILESc1ccc(CCN2CC[C@@H]3CCN[C@@H]3C2)cc1
InChIInChI=1S/C15H22N2/c1-2-4-13(5-3-1)7-10-17-11-8-14-6-9-16-15(14)12-17/h1-5,14-16H,6-12H2/t14-,15+/m0/s1
InChIKeyODYLTZRECSDWCJ-LSDHHAIUSA-N
XLogP1.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine with MolForge

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Related Compounds

(4aS,7aS)-6-(2-phenylethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 104870048
3-cyclopropyl-1-(4-phenylbutyl)-1,4-diazepane
CID 114334965
3-cyclohexyl-1-(3-phenylpropyl)piperazine
CID 64834291
(3aS,6aS)-5-(2-pyridin-4-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850452
(3S)-3-methyl-1-(2-phenylethyl)piperazine
CID 95243884
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1,4-diazepane
CID 64940736
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 11356376
3-benzyl-1-(2-phenylethyl)piperazine
CID 64832904
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;dihydrochloride
CID 44890942
1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine
CID 44592885
(3aS,6aS)-5-benzylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 43602951

Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The IUPAC name of (3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine (CID 11842673) is (3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for (3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for (3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine is c1ccc(CCN2CC[C@@H]3CCN[C@@H]3C2)cc1.
What is the InChIKey of (3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The InChIKey is ODYLTZRECSDWCJ-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-4-13(5-3-1)7-10-17-11-8-14-6-9-16-15(14)12-17/h1-5,14-16H,6-12H2/t14-,15+/m0/s1.
What are the key properties of (3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine has a molecular weight of 230.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 11842673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).