2-[(3aR,7S,7aS)-2-(furan-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone

C18H24N2O5 — CID 97379953

IUPAC2-[(3aR,7S,7aS)-2-(furan-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone
SMILESO=C(C[C@@H]1COC[C@H]2CN(C(=O)c3ccoc3)C[C@@H]12)N1CCOCC1
InChIInChI=1S/C18H24N2O5/c21-17(19-2-5-23-6-3-19)7-14-11-25-12-15-8-20(9-16(14)15)18(22)13-1-4-24-10-13/h1,4,10,14-16H,2-3,5-9,11-12H2/t14-,15-,16+/m1/s1
InChIKeyYFVXZABGUGQGJP-OAGGEKHMSA-N
MW348.40 g/mol
LogP0.86
Rot. Bonds3

About 2-[(3aR,7S,7aS)-2-(furan-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone

2-[(3aR,7S,7aS)-2-(furan-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone (PubChem CID 97379953) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[(3aR,7S,7aS)-2-(furan-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3aR,7S,7aS)-2-(furan-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone
PubChem CID97379953
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name2-[(3aR,7S,7aS)-2-(furan-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone
SMILESO=C(C[C@@H]1COC[C@H]2CN(C(=O)c3ccoc3)C[C@@H]12)N1CCOCC1
InChIInChI=1S/C18H24N2O5/c21-17(19-2-5-23-6-3-19)7-14-11-25-12-15-8-20(9-16(14)15)18(22)13-1-4-24-10-13/h1,4,10,14-16H,2-3,5-9,11-12H2/t14-,15-,16+/m1/s1
InChIKeyYFVXZABGUGQGJP-OAGGEKHMSA-N
XLogP0.86
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3aR,7S,7aS)-2-(furan-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone
CID 97379957
2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone
CID 129368099
furan-3-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207986
2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone
CID 131660230
2-[(3aR,7S,7aS)-2-[(5-methylthiophen-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
CID 127024027
2-[(3aR,7S,7aS)-2-(furan-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-pyrrolidin-1-ylethanone
CID 97379920
2-[(3aR,7S,7aS)-2-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone;bis(2,2,2-trifluoroacetic acid)
CID 127021991
2-[(3aR,7S,7aS)-2-(6-methylpyridine-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 127021415
[3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone
CID 130531402
2-[(3aR,7S,7aS)-2-[(4-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-pyrrolidin-1-ylethanone
CID 97379926
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(furan-3-yl)methanone
CID 120745387
(2,6-dimethylmorpholin-4-yl)-(furan-3-yl)methanone
CID 42922601

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,7S,7aS)-2-(furan-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3aR,7S,7aS)-2-(furan-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone (CID 97379953) is 2-[(3aR,7S,7aS)-2-(furan-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3aR,7S,7aS)-2-(furan-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3aR,7S,7aS)-2-(furan-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone is O=C(C[C@@H]1COC[C@H]2CN(C(=O)c3ccoc3)C[C@@H]12)N1CCOCC1.
What is the InChIKey of 2-[(3aR,7S,7aS)-2-(furan-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone?
The InChIKey is YFVXZABGUGQGJP-OAGGEKHMSA-N. The full InChI is InChI=1S/C18H24N2O5/c21-17(19-2-5-23-6-3-19)7-14-11-25-12-15-8-20(9-16(14)15)18(22)13-1-4-24-10-13/h1,4,10,14-16H,2-3,5-9,11-12H2/t14-,15-,16+/m1/s1.
What are the key properties of 2-[(3aR,7S,7aS)-2-(furan-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone?
2-[(3aR,7S,7aS)-2-(furan-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone has a molecular weight of 348.40 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,7S,7aS)-2-(furan-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 97379953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).