(5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one

C13H21N3O — CID 145360718

IUPAC(5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one
SMILESCC/C=C1C(=N\C)\NC(=O)CC\12CCNCC2
InChIInChI=1S/C13H21N3O/c1-3-4-10-12(14-2)16-11(17)9-13(10)5-7-15-8-6-13/h4,15H,3,5-9H2,1-2H3,(H,14,16,17)/b10-4+
InChIKeyBRRVUIIDURRXOS-ONNFQVAWSA-N
MW235.33 g/mol
LogP1.24
Rot. Bonds1

About (5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one

(5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 145360718) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID145360718
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one
SMILESCC/C=C1C(=N\C)\NC(=O)CC\12CCNCC2
InChIInChI=1S/C13H21N3O/c1-3-4-10-12(14-2)16-11(17)9-13(10)5-7-15-8-6-13/h4,15H,3,5-9H2,1-2H3,(H,14,16,17)/b10-4+
InChIKeyBRRVUIIDURRXOS-ONNFQVAWSA-N
XLogP1.24
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-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

(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine
CID 143423158
3,9-diazaspiro[5.5]undecane-2,5-dione
CID 59929903
7,7,9,9-tetramethyl-2-azaspiro[4.5]decane-1,3-dione
CID 112682590
2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one
CID 143147204
(3E,5E)-5-ethylidene-3-propylidene-2,9-diazaspiro[5.5]undecane
CID 142941810
calcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride
CID 173338216
(3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine]
CID 58137278
(3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 176953118
(5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 51885348
3-ethyl-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 20622599
2-aza-8-azoniaspiro[4.5]decane-1,3-dione
CID 143722257
ethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 142838898

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one (CID 145360718) is (5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one is CC/C=C1C(=N\C)\NC(=O)CC\12CCNCC2.
What is the InChIKey of (5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is BRRVUIIDURRXOS-ONNFQVAWSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-4-10-12(14-2)16-11(17)9-13(10)5-7-15-8-6-13/h4,15H,3,5-9H2,1-2H3,(H,14,16,17)/b10-4+.
What are the key properties of (5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one?
(5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 145360718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).