(1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile

C24H26N2O2 — CID 40823073

IUPAC(1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile
SMILESN#C[C@]1(c2ccccc2)O[C@H](c2ccccc2)[C@H]2CCC[C@@]21N1CCOCC1
InChIInChI=1S/C24H26N2O2/c25-18-24(20-10-5-2-6-11-20)23(26-14-16-27-17-15-26)13-7-12-21(23)22(28-24)19-8-3-1-4-9-19/h1-6,8-11,21-22H,7,12-17H2/t21-,22-,23-,24-/m1/s1
InChIKeyBHMNGRKKDHUTQG-MOUTVQLLSA-N
MW374.48 g/mol
LogP4.05
Rot. Bonds3

About (1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile

(1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile (PubChem CID 40823073) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is (1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile.

Molecular Properties

Compound Name(1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile
PubChem CID40823073
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name(1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile
SMILESN#C[C@]1(c2ccccc2)O[C@H](c2ccccc2)[C@H]2CCC[C@@]21N1CCOCC1
InChIInChI=1S/C24H26N2O2/c25-18-24(20-10-5-2-6-11-20)23(26-14-16-27-17-15-26)13-7-12-21(23)22(28-24)19-8-3-1-4-9-19/h1-6,8-11,21-22H,7,12-17H2/t21-,22-,23-,24-/m1/s1
InChIKeyBHMNGRKKDHUTQG-MOUTVQLLSA-N
XLogP4.05
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile with MolForge

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Related Compounds

4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine
CID 23848485
3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 64624261
1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 43802963
4-phenyl-1-pyrrolidin-1-ylcyclohexane-1-carbonitrile
CID 43802845
1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine
CID 11085524
4-[1-(2-phenylethynyl)cycloheptyl]morpholine
CID 3501572
4-morpholin-4-yl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile
CID 10473082
(1S,8S)-10,10-diphenyl-9-oxabicyclo[6.2.0]decane
CID 101105707
2-morpholin-4-yl-4-phenylcyclohexane-1-carbonitrile
CID 43291512
4-[4-[[(3S)-3-methyl-6-phenylthiazinan-2-yl]methyl]phenyl]oxane-4-carbonitrile
CID 144883505
3-oxo-1-phenyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-8a-carbonitrile
CID 14355226
(4aS,9S,9aS)-4a-morpholin-4-yl-N-phenyl-1,2,3,4,9,9a-hexahydroxanthen-9-amine
CID 139066052

Frequently Asked Questions

What is the IUPAC name of (1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile?
The IUPAC name of (1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile (CID 40823073) is (1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile.
What is the SMILES notation for (1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile?
The canonical SMILES for (1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile is N#C[C@]1(c2ccccc2)O[C@H](c2ccccc2)[C@H]2CCC[C@@]21N1CCOCC1.
What is the InChIKey of (1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile?
The InChIKey is BHMNGRKKDHUTQG-MOUTVQLLSA-N. The full InChI is InChI=1S/C24H26N2O2/c25-18-24(20-10-5-2-6-11-20)23(26-14-16-27-17-15-26)13-7-12-21(23)22(28-24)19-8-3-1-4-9-19/h1-6,8-11,21-22H,7,12-17H2/t21-,22-,23-,24-/m1/s1.
What are the key properties of (1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile?
(1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile has a molecular weight of 374.48 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile is sourced from PubChem (CID 40823073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).