(5S,9S)-7-[(4,5-dimethylfuran-2-yl)methyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one

C16H24N2O2 — CID 97471668

IUPAC(5S,9S)-7-[(4,5-dimethylfuran-2-yl)methyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1cc(CN2C[C@@H](C)[C@@]3(CCN(C)C3=O)C2)oc1C
InChIInChI=1S/C16H24N2O2/c1-11-7-14(20-13(11)3)9-18-8-12(2)16(10-18)5-6-17(4)15(16)19/h7,12H,5-6,8-10H2,1-4H3/t12-,16-/m1/s1
InChIKeySDCMDFATSIKZEZ-MLGOLLRUSA-N
MW276.38 g/mol
LogP2.20
Rot. Bonds2

About (5S,9S)-7-[(4,5-dimethylfuran-2-yl)methyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-7-[(4,5-dimethylfuran-2-yl)methyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97471668) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (5S,9S)-7-[(4,5-dimethylfuran-2-yl)methyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-7-[(4,5-dimethylfuran-2-yl)methyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97471668
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(5S,9S)-7-[(4,5-dimethylfuran-2-yl)methyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1cc(CN2C[C@@H](C)[C@@]3(CCN(C)C3=O)C2)oc1C
InChIInChI=1S/C16H24N2O2/c1-11-7-14(20-13(11)3)9-18-8-12(2)16(10-18)5-6-17(4)15(16)19/h7,12H,5-6,8-10H2,1-4H3/t12-,16-/m1/s1
InChIKeySDCMDFATSIKZEZ-MLGOLLRUSA-N
XLogP2.20
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7-[(4,5-dimethylfuran-2-yl)methyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-7-[(4,5-dimethylfuran-2-yl)methyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one (CID 97471668) is (5S,9S)-7-[(4,5-dimethylfuran-2-yl)methyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-7-[(4,5-dimethylfuran-2-yl)methyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-7-[(4,5-dimethylfuran-2-yl)methyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one is Cc1cc(CN2C[C@@H](C)[C@@]3(CCN(C)C3=O)C2)oc1C.
What is the InChIKey of (5S,9S)-7-[(4,5-dimethylfuran-2-yl)methyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is SDCMDFATSIKZEZ-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-7-14(20-13(11)3)9-18-8-12(2)16(10-18)5-6-17(4)15(16)19/h7,12H,5-6,8-10H2,1-4H3/t12-,16-/m1/s1.
What are the key properties of (5S,9S)-7-[(4,5-dimethylfuran-2-yl)methyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-7-[(4,5-dimethylfuran-2-yl)methyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-7-[(4,5-dimethylfuran-2-yl)methyl]-2,9-dimethyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97471668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).