(3aR,7aS)-6-(furan-2-ylmethyl)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine

C19H24N2O — CID 124813445

IUPAC(3aR,7aS)-6-(furan-2-ylmethyl)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine
SMILESCN1CC[C@@]2(c3ccccc3)CCN(Cc3ccco3)C[C@@H]12
InChIInChI=1S/C19H24N2O/c1-20-11-9-19(16-6-3-2-4-7-16)10-12-21(15-18(19)20)14-17-8-5-13-22-17/h2-8,13,18H,9-12,14-15H2,1H3/t18-,19+/m1/s1
InChIKeyACSZNQVPNYRNTG-MOPGFXCFSA-N
MW296.41 g/mol
LogP3.13
Rot. Bonds3

About (3aR,7aS)-6-(furan-2-ylmethyl)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine

(3aR,7aS)-6-(furan-2-ylmethyl)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine (PubChem CID 124813445) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (3aR,7aS)-6-(furan-2-ylmethyl)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name(3aR,7aS)-6-(furan-2-ylmethyl)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine
PubChem CID124813445
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(3aR,7aS)-6-(furan-2-ylmethyl)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine
SMILESCN1CC[C@@]2(c3ccccc3)CCN(Cc3ccco3)C[C@@H]12
InChIInChI=1S/C19H24N2O/c1-20-11-9-19(16-6-3-2-4-7-16)10-12-21(15-18(19)20)14-17-8-5-13-22-17/h2-8,13,18H,9-12,14-15H2,1H3/t18-,19+/m1/s1
InChIKeyACSZNQVPNYRNTG-MOPGFXCFSA-N
XLogP3.13
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,7aR)-6-(furan-2-ylmethyl)-1-methylsulfonyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine
CID 97381136
2-[(3aS,7aS)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]ethanol
CID 98779323
8-(furan-2-ylmethyl)-2-methyl-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 131662088
(1R)-7-(furan-2-ylmethyl)-2-methyl-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 97415566
(3aS,7aR)-2-(furan-2-ylmethyl)-7a-phenyl-5-pyrimidin-2-yl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine
CID 97404201
2-(1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl)acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 155853363
8-(furan-2-ylmethyl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131639615
1-[(3aR,7aS)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]ethanone
CID 124522375
1-[(3aR,7aR)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]ethanone
CID 98779316
(3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine
CID 10017636
[(3aR,7aR)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]-(furan-3-yl)methanone
CID 97381103
3-ethyl-1-(furan-2-ylmethyl)pyrrolidine
CID 130727430

Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-6-(furan-2-ylmethyl)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine?
The IUPAC name of (3aR,7aS)-6-(furan-2-ylmethyl)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine (CID 124813445) is (3aR,7aS)-6-(furan-2-ylmethyl)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for (3aR,7aS)-6-(furan-2-ylmethyl)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for (3aR,7aS)-6-(furan-2-ylmethyl)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine is CN1CC[C@@]2(c3ccccc3)CCN(Cc3ccco3)C[C@@H]12.
What is the InChIKey of (3aR,7aS)-6-(furan-2-ylmethyl)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine?
The InChIKey is ACSZNQVPNYRNTG-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H24N2O/c1-20-11-9-19(16-6-3-2-4-7-16)10-12-21(15-18(19)20)14-17-8-5-13-22-17/h2-8,13,18H,9-12,14-15H2,1H3/t18-,19+/m1/s1.
What are the key properties of (3aR,7aS)-6-(furan-2-ylmethyl)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine?
(3aR,7aS)-6-(furan-2-ylmethyl)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine has a molecular weight of 296.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-6-(furan-2-ylmethyl)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 124813445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).