(3aR,4R,6aS)-4-(2,2-diphenylhydrazinyl)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

C18H18N2O3 — CID 101139723

IUPAC(3aR,4R,6aS)-4-(2,2-diphenylhydrazinyl)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESO=C1O[C@@H]2OCC[C@@H]2[C@H]1NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O3/c21-17-16(15-11-12-22-18(15)23-17)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18-19H,11-12H2/t15-,16-,18+/m1/s1
InChIKeyYFXYBZXLHKIJGF-NUJGCVRESA-N
MW310.35 g/mol
LogP2.62
Rot. Bonds4

About (3aR,4R,6aS)-4-(2,2-diphenylhydrazinyl)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

(3aR,4R,6aS)-4-(2,2-diphenylhydrazinyl)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (PubChem CID 101139723) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (3aR,4R,6aS)-4-(2,2-diphenylhydrazinyl)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.

Molecular Properties

Compound Name(3aR,4R,6aS)-4-(2,2-diphenylhydrazinyl)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
PubChem CID101139723
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(3aR,4R,6aS)-4-(2,2-diphenylhydrazinyl)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESO=C1O[C@@H]2OCC[C@@H]2[C@H]1NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O3/c21-17-16(15-11-12-22-18(15)23-17)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18-19H,11-12H2/t15-,16-,18+/m1/s1
InChIKeyYFXYBZXLHKIJGF-NUJGCVRESA-N
XLogP2.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3aR,4S,6aS)-4-benzyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 11830917
2-[(2R,4S)-2-ethoxyoxan-4-yl]-1,1-diphenylhydrazine
CID 102351117
(2R,3S,3aS,6S,6aR)-2-[(1R)-1,2-dimethoxyethyl]-6-(2,2-diphenylhydrazinyl)-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 100962567
(3aR,4R,9aS)-6-bromo-N-phenyl-3,3a,4,9a-tetrahydro-2H-furo[2,3-b]chromen-4-amine
CID 101448693
(3aR,4S,9aS)-7-methoxy-N-phenyl-3,3a,4,9a-tetrahydro-2H-furo[2,3-b]chromen-4-amine
CID 102409251
(3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran
CID 11298135
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CID 135774031
mercury;(N-phenylanilino)urea
CID 175145706
N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,2-diphenylacetamide
CID 91774555
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CID 91743548
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CID 165119310

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6aS)-4-(2,2-diphenylhydrazinyl)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The IUPAC name of (3aR,4R,6aS)-4-(2,2-diphenylhydrazinyl)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (CID 101139723) is (3aR,4R,6aS)-4-(2,2-diphenylhydrazinyl)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.
What is the SMILES notation for (3aR,4R,6aS)-4-(2,2-diphenylhydrazinyl)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The canonical SMILES for (3aR,4R,6aS)-4-(2,2-diphenylhydrazinyl)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is O=C1O[C@@H]2OCC[C@@H]2[C@H]1NN(c1ccccc1)c1ccccc1.
What is the InChIKey of (3aR,4R,6aS)-4-(2,2-diphenylhydrazinyl)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The InChIKey is YFXYBZXLHKIJGF-NUJGCVRESA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17-16(15-11-12-22-18(15)23-17)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18-19H,11-12H2/t15-,16-,18+/m1/s1.
What are the key properties of (3aR,4R,6aS)-4-(2,2-diphenylhydrazinyl)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
(3aR,4R,6aS)-4-(2,2-diphenylhydrazinyl)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one has a molecular weight of 310.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6aS)-4-(2,2-diphenylhydrazinyl)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is sourced from PubChem (CID 101139723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).