(5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

C20H22N2O3 — CID 97392356

IUPAC(5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)c(C)o1
InChIInChI=1S/C20H22N2O3/c1-13-10-16(14(2)25-13)18(23)22-11-17(15-6-4-3-5-7-15)20(12-22)8-9-21-19(20)24/h3-7,10,17H,8-9,11-12H2,1-2H3,(H,21,24)/t17-,20+/m0/s1
InChIKeyNQHSUJCKTIHIPE-FXAWDEMLSA-N
MW338.41 g/mol
LogP2.64
Rot. Bonds2

About (5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97392356) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97392356
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)c(C)o1
InChIInChI=1S/C20H22N2O3/c1-13-10-16(14(2)25-13)18(23)22-11-17(15-6-4-3-5-7-15)20(12-22)8-9-21-19(20)24/h3-7,10,17H,8-9,11-12H2,1-2H3,(H,21,24)/t17-,20+/m0/s1
InChIKeyNQHSUJCKTIHIPE-FXAWDEMLSA-N
XLogP2.64
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Related Compounds

tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 124518790
(5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97392354
3-(2,5-dimethylfuran-3-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 86285979
9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
CID 131695168
3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 23763355
(5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131652109
(5S,9S)-7-(3,4-dimethylbenzoyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471660
(2,5-dimethylfuran-3-yl)-[(7S)-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 99903831
4-(2,5-dimethylfuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365276
1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251953
(4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid
CID 141350023
6-(2,5-dimethylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175577

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (CID 97392356) is (5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)c(C)o1.
What is the InChIKey of (5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is NQHSUJCKTIHIPE-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-10-16(14(2)25-13)18(23)22-11-17(15-6-4-3-5-7-15)20(12-22)8-9-21-19(20)24/h3-7,10,17H,8-9,11-12H2,1-2H3,(H,21,24)/t17-,20+/m0/s1.
What are the key properties of (5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 338.41 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97392356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).