(5R)-9-benzylimino-2-methyl-4-methylidene-2-azaspiro[4.4]nonan-1-one

C17H20N2O — CID 15317454

IUPAC(5R)-9-benzylimino-2-methyl-4-methylidene-2-azaspiro[4.4]nonan-1-one
SMILESC=C1CN(C)C(=O)[C@]12CCC/C2=N\Cc1ccccc1
InChIInChI=1S/C17H20N2O/c1-13-12-19(2)16(20)17(13)10-6-9-15(17)18-11-14-7-4-3-5-8-14/h3-5,7-8H,1,6,9-12H2,2H3/b18-15+/t17-/m1/s1
InChIKeyMRTRLEXJIABMTA-PQMNFKMDSA-N
MW268.36 g/mol
LogP2.83
Rot. Bonds2

About (5R)-9-benzylimino-2-methyl-4-methylidene-2-azaspiro[4.4]nonan-1-one

(5R)-9-benzylimino-2-methyl-4-methylidene-2-azaspiro[4.4]nonan-1-one (PubChem CID 15317454) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (5R)-9-benzylimino-2-methyl-4-methylidene-2-azaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R)-9-benzylimino-2-methyl-4-methylidene-2-azaspiro[4.4]nonan-1-one
PubChem CID15317454
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(5R)-9-benzylimino-2-methyl-4-methylidene-2-azaspiro[4.4]nonan-1-one
SMILESC=C1CN(C)C(=O)[C@]12CCC/C2=N\Cc1ccccc1
InChIInChI=1S/C17H20N2O/c1-13-12-19(2)16(20)17(13)10-6-9-15(17)18-11-14-7-4-3-5-8-14/h3-5,7-8H,1,6,9-12H2,2H3/b18-15+/t17-/m1/s1
InChIKeyMRTRLEXJIABMTA-PQMNFKMDSA-N
XLogP2.83
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5R)-9-benzylimino-2-methyl-4-methylidene-2-azaspiro[4.4]nonan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-2-methyl-4-methylidene-9-[(1S)-1-phenylethyl]imino-2-azaspiro[4.4]nonan-1-one
CID 10588983
2-benzylimino-1-methylimidazolidin-4-one
CID 137219218
1-benzyl-3,3-dimethyl-4-methylidenepyrrolidin-2-one
CID 11806087
N,5-dibenzyl-5-azaspiro[2.4]heptan-7-imine
CID 10401981
[(1S,4R)-2-benzylimino-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanol
CID 10244209
1,3-dimethyl-3-[1-(2-phenylethyl)piperidin-4-yl]azepan-2-one
CID 110261989
3,3-dimethyl-1-(2-phenylethyl)piperidine-2,6-dione
CID 10514518
5-benzylimino-4-methyl-1,2,4-dithiazolidin-3-one
CID 170541648
1,4,4-trimethyl-3-methylidene-2H-quinoline
CID 142604520
N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine
CID 67536022
3-benzyl-3-ethyl-1-methylpiperidin-2-one
CID 23448180
2-acetyl-2-[2-(3-phenylmethoxycyclobutylidene)propyl]cyclopentan-1-one
CID 10544126

Frequently Asked Questions

What is the IUPAC name of (5R)-9-benzylimino-2-methyl-4-methylidene-2-azaspiro[4.4]nonan-1-one?
The IUPAC name of (5R)-9-benzylimino-2-methyl-4-methylidene-2-azaspiro[4.4]nonan-1-one (CID 15317454) is (5R)-9-benzylimino-2-methyl-4-methylidene-2-azaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R)-9-benzylimino-2-methyl-4-methylidene-2-azaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R)-9-benzylimino-2-methyl-4-methylidene-2-azaspiro[4.4]nonan-1-one is C=C1CN(C)C(=O)[C@]12CCC/C2=N\Cc1ccccc1.
What is the InChIKey of (5R)-9-benzylimino-2-methyl-4-methylidene-2-azaspiro[4.4]nonan-1-one?
The InChIKey is MRTRLEXJIABMTA-PQMNFKMDSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-12-19(2)16(20)17(13)10-6-9-15(17)18-11-14-7-4-3-5-8-14/h3-5,7-8H,1,6,9-12H2,2H3/b18-15+/t17-/m1/s1.
What are the key properties of (5R)-9-benzylimino-2-methyl-4-methylidene-2-azaspiro[4.4]nonan-1-one?
(5R)-9-benzylimino-2-methyl-4-methylidene-2-azaspiro[4.4]nonan-1-one has a molecular weight of 268.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-benzylimino-2-methyl-4-methylidene-2-azaspiro[4.4]nonan-1-one is sourced from PubChem (CID 15317454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).