(5R,9R)-2-[2-(dimethylamino)ethyl]-7-(furan-3-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one

C17H25N3O3 — CID 97392309

IUPAC(5R,9R)-2-[2-(dimethylamino)ethyl]-7-(furan-3-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESC[C@H]1CN(C(=O)c2ccoc2)C[C@@]12CCN(CCN(C)C)C2=O
InChIInChI=1S/C17H25N3O3/c1-13-10-20(15(21)14-4-9-23-11-14)12-17(13)5-6-19(16(17)22)8-7-18(2)3/h4,9,11,13H,5-8,10,12H2,1-3H3/t13-,17-/m0/s1
InChIKeyJZLKOISXAYQLLX-GUYCJALGSA-N
MW319.40 g/mol
LogP1.15
Rot. Bonds4

About (5R,9R)-2-[2-(dimethylamino)ethyl]-7-(furan-3-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one

(5R,9R)-2-[2-(dimethylamino)ethyl]-7-(furan-3-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97392309) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (5R,9R)-2-[2-(dimethylamino)ethyl]-7-(furan-3-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R,9R)-2-[2-(dimethylamino)ethyl]-7-(furan-3-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97392309
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(5R,9R)-2-[2-(dimethylamino)ethyl]-7-(furan-3-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESC[C@H]1CN(C(=O)c2ccoc2)C[C@@]12CCN(CCN(C)C)C2=O
InChIInChI=1S/C17H25N3O3/c1-13-10-20(15(21)14-4-9-23-11-14)12-17(13)5-6-19(16(17)22)8-7-18(2)3/h4,9,11,13H,5-8,10,12H2,1-3H3/t13-,17-/m0/s1
InChIKeyJZLKOISXAYQLLX-GUYCJALGSA-N
XLogP1.15
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,9R)-2-[2-(dimethylamino)ethyl]-7-(furan-3-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5R,9R)-2-[2-(dimethylamino)ethyl]-7-(furan-3-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one (CID 97392309) is (5R,9R)-2-[2-(dimethylamino)ethyl]-7-(furan-3-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R,9R)-2-[2-(dimethylamino)ethyl]-7-(furan-3-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R,9R)-2-[2-(dimethylamino)ethyl]-7-(furan-3-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one is C[C@H]1CN(C(=O)c2ccoc2)C[C@@]12CCN(CCN(C)C)C2=O.
What is the InChIKey of (5R,9R)-2-[2-(dimethylamino)ethyl]-7-(furan-3-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is JZLKOISXAYQLLX-GUYCJALGSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13-10-20(15(21)14-4-9-23-11-14)12-17(13)5-6-19(16(17)22)8-7-18(2)3/h4,9,11,13H,5-8,10,12H2,1-3H3/t13-,17-/m0/s1.
What are the key properties of (5R,9R)-2-[2-(dimethylamino)ethyl]-7-(furan-3-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
(5R,9R)-2-[2-(dimethylamino)ethyl]-7-(furan-3-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 319.40 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-2-[2-(dimethylamino)ethyl]-7-(furan-3-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97392309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).