(3S,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

C17H26N2O3 — CID 125194926

IUPAC(3S,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
SMILESCc1ccc(CN2C[C@H](N3CCOCC3)[C@H]3OCCC[C@@H]32)o1
InChIInChI=1S/C17H26N2O3/c1-13-4-5-14(22-13)11-19-12-16(18-6-9-20-10-7-18)17-15(19)3-2-8-21-17/h4-5,15-17H,2-3,6-12H2,1H3/t15-,16-,17-/m0/s1
InChIKeyCLOWHJIOZFSRLX-ULQDDVLXSA-N
MW306.41 g/mol
LogP1.65
Rot. Bonds3

About (3S,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

(3S,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole (PubChem CID 125194926) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3S,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole.

Molecular Properties

Compound Name(3S,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
PubChem CID125194926
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(3S,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
SMILESCc1ccc(CN2C[C@H](N3CCOCC3)[C@H]3OCCC[C@@H]32)o1
InChIInChI=1S/C17H26N2O3/c1-13-4-5-14(22-13)11-19-12-16(18-6-9-20-10-7-18)17-15(19)3-2-8-21-17/h4-5,15-17H,2-3,6-12H2,1H3/t15-,16-,17-/m0/s1
InChIKeyCLOWHJIOZFSRLX-ULQDDVLXSA-N
XLogP1.65
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 134690071
(3S)-1-[(4-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 134690451
(3S,3aR,7aS)-3-morpholin-4-yl-1-(1,3-thiazol-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97460311
3-[[(3S)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methyl]benzonitrile
CID 134690001
N-[(3R,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylpyrazole-4-carboxamide
CID 97461353
(3S,3aR,7aS)-1-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155831158
1-[(5-methylfuran-2-yl)methyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid
CID 134072257
(3S,3aR,7aS)-1-[(1-methylimidazol-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;tris(2,2,2-trifluoroacetic acid)
CID 127022532
2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine
CID 130718603
(4aS,7R,7aR)-4-[(5-methylfuran-2-yl)methyl]-7-prop-2-enoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97380518
3-methyl-2-[(5-methylfuran-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926014
2-[[(4aS,7R,7aR)-4-[(5-methylfuran-2-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 97365493

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The IUPAC name of (3S,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole (CID 125194926) is (3S,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole.
What is the SMILES notation for (3S,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The canonical SMILES for (3S,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole is Cc1ccc(CN2C[C@H](N3CCOCC3)[C@H]3OCCC[C@@H]32)o1.
What is the InChIKey of (3S,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The InChIKey is CLOWHJIOZFSRLX-ULQDDVLXSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-4-5-14(22-13)11-19-12-16(18-6-9-20-10-7-18)17-15(19)3-2-8-21-17/h4-5,15-17H,2-3,6-12H2,1H3/t15-,16-,17-/m0/s1.
What are the key properties of (3S,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
(3S,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole has a molecular weight of 306.41 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole is sourced from PubChem (CID 125194926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).