(3aR,7aR)-2-(furan-3-ylmethyl)-5-(2-methoxyethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one

C15H22N2O3 — CID 97377626

IUPAC(3aR,7aR)-2-(furan-3-ylmethyl)-5-(2-methoxyethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
SMILESCOCCN1CC[C@H]2CN(Cc3ccoc3)C[C@@H]2C1=O
InChIInChI=1S/C15H22N2O3/c1-19-7-5-17-4-2-13-9-16(10-14(13)15(17)18)8-12-3-6-20-11-12/h3,6,11,13-14H,2,4-5,7-10H2,1H3/t13-,14-/m0/s1
InChIKeyZVMKTLDEFJZKHF-KBPBESRZSA-N
MW278.35 g/mol
LogP1.21
Rot. Bonds5

About (3aR,7aR)-2-(furan-3-ylmethyl)-5-(2-methoxyethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one

(3aR,7aR)-2-(furan-3-ylmethyl)-5-(2-methoxyethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one (PubChem CID 97377626) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3aR,7aR)-2-(furan-3-ylmethyl)-5-(2-methoxyethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name(3aR,7aR)-2-(furan-3-ylmethyl)-5-(2-methoxyethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
PubChem CID97377626
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3aR,7aR)-2-(furan-3-ylmethyl)-5-(2-methoxyethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
SMILESCOCCN1CC[C@H]2CN(Cc3ccoc3)C[C@@H]2C1=O
InChIInChI=1S/C15H22N2O3/c1-19-7-5-17-4-2-13-9-16(10-14(13)15(17)18)8-12-3-6-20-11-12/h3,6,11,13-14H,2,4-5,7-10H2,1H3/t13-,14-/m0/s1
InChIKeyZVMKTLDEFJZKHF-KBPBESRZSA-N
XLogP1.21
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,7aR)-2-(furan-3-ylmethyl)-5-(2-methoxyethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one with MolForge

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Related Compounds

(3aR,7aR)-5-(2-methoxyethyl)-2-(pyridin-4-ylmethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 97377635
2-(furan-3-ylmethyl)-5-(pyridin-3-ylmethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 131697594
(3aS,7aR)-2-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one
CID 97413266
(3aS,6aR)-2-(furan-3-ylmethyl)-5-(pyridin-3-ylmethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124813138
(3aS,7aR)-5-(2-methoxyethyl)-2-(thiophene-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 125205857
4-(furan-3-ylmethyl)-2-(2-methoxyethyl)morpholine
CID 131934438
(4R,4aS,7aS)-1-(furan-3-ylmethyl)-4-methoxy-6-(2-methoxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97477513
(3aR,7aS)-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138387669
8-(furan-3-ylmethyl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 131677243
2-(cyclohexylmethyl)-5-(2-methoxyethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 155876673
(3aR,6aS)-5-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one;2,2,2-trifluoroacetic acid
CID 155854157
1'-(furan-3-ylmethyl)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
CID 124544221

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-2-(furan-3-ylmethyl)-5-(2-methoxyethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
The IUPAC name of (3aR,7aR)-2-(furan-3-ylmethyl)-5-(2-methoxyethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one (CID 97377626) is (3aR,7aR)-2-(furan-3-ylmethyl)-5-(2-methoxyethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one.
What is the SMILES notation for (3aR,7aR)-2-(furan-3-ylmethyl)-5-(2-methoxyethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
The canonical SMILES for (3aR,7aR)-2-(furan-3-ylmethyl)-5-(2-methoxyethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one is COCCN1CC[C@H]2CN(Cc3ccoc3)C[C@@H]2C1=O.
What is the InChIKey of (3aR,7aR)-2-(furan-3-ylmethyl)-5-(2-methoxyethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
The InChIKey is ZVMKTLDEFJZKHF-KBPBESRZSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-7-5-17-4-2-13-9-16(10-14(13)15(17)18)8-12-3-6-20-11-12/h3,6,11,13-14H,2,4-5,7-10H2,1H3/t13-,14-/m0/s1.
What are the key properties of (3aR,7aR)-2-(furan-3-ylmethyl)-5-(2-methoxyethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
(3aR,7aR)-2-(furan-3-ylmethyl)-5-(2-methoxyethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one has a molecular weight of 278.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-2-(furan-3-ylmethyl)-5-(2-methoxyethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one is sourced from PubChem (CID 97377626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).