[(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-morpholin-4-ylmethanone

C18H23FN2O4 — CID 146120693

IUPAC[(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-morpholin-4-ylmethanone
SMILESCOC[C@@H]1CN(C(=O)N2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12
InChIInChI=1S/C18H23FN2O4/c1-23-10-12-9-21(18(22)20-4-6-24-7-5-20)17-14-8-13(19)2-3-16(14)25-11-15(12)17/h2-3,8,12,15,17H,4-7,9-11H2,1H3/t12-,15-,17-/m0/s1
InChIKeyWZRIWDIYYTXCFM-NUTKFTJISA-N
MW350.39 g/mol
LogP1.91
Rot. Bonds2

About [(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-morpholin-4-ylmethanone

[(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-morpholin-4-ylmethanone (PubChem CID 146120693) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is [(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-morpholin-4-ylmethanone
PubChem CID146120693
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name[(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-morpholin-4-ylmethanone
SMILESCOC[C@@H]1CN(C(=O)N2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12
InChIInChI=1S/C18H23FN2O4/c1-23-10-12-9-21(18(22)20-4-6-24-7-5-20)17-14-8-13(19)2-3-16(14)25-11-15(12)17/h2-3,8,12,15,17H,4-7,9-11H2,1H3/t12-,15-,17-/m0/s1
InChIKeyWZRIWDIYYTXCFM-NUTKFTJISA-N
XLogP1.91
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole
CID 146120765
(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-1-pyridin-3-ylsulfonyl-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole
CID 146120729
(3S,3aS,9bR)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide
CID 146120809
[(3S,3aS,9bR)-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-cyclobutylmethanone
CID 146120738
(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
CID 58740911
(3S,3aS,9bR)-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-1-(oxan-4-ylmethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole
CID 146120799
methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 137332483
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide
CID 110475783
(3S,3aS,9bR)-3-(cyclopropylmethoxymethyl)-N-(3,5-difluorophenyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide
CID 146120562
O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117201919
methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate
CID 14986536
2-methylpropyl (3S,3aS)-1-carbamoyl-8-fluoro-3-phenyl-3,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole-2-carboxylate
CID 68593250

Frequently Asked Questions

What is the IUPAC name of [(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-morpholin-4-ylmethanone (CID 146120693) is [(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-morpholin-4-ylmethanone is COC[C@@H]1CN(C(=O)N2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12.
What is the InChIKey of [(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-morpholin-4-ylmethanone?
The InChIKey is WZRIWDIYYTXCFM-NUTKFTJISA-N. The full InChI is InChI=1S/C18H23FN2O4/c1-23-10-12-9-21(18(22)20-4-6-24-7-5-20)17-14-8-13(19)2-3-16(14)25-11-15(12)17/h2-3,8,12,15,17H,4-7,9-11H2,1H3/t12-,15-,17-/m0/s1.
What are the key properties of [(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-morpholin-4-ylmethanone?
[(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-morpholin-4-ylmethanone has a molecular weight of 350.39 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrol-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 146120693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).