3-(3-chloro-2-pyridinyl)-3-azaspiro[5.5]undecane-2,4-dione

C15H17ClN2O2 — CID 103094586

IUPAC3-(3-chloro-2-pyridinyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCCCC2)CC(=O)N1c1ncccc1Cl
InChIInChI=1S/C15H17ClN2O2/c16-11-5-4-8-17-14(11)18-12(19)9-15(10-13(18)20)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9-10H2
InChIKeyMMIMFPNYHATBGN-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.34
Rot. Bonds1

About 3-(3-chloro-2-pyridinyl)-3-azaspiro[5.5]undecane-2,4-dione

3-(3-chloro-2-pyridinyl)-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 103094586) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-(3-chloro-2-pyridinyl)-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-(3-chloro-2-pyridinyl)-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID103094586
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-(3-chloro-2-pyridinyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCCCC2)CC(=O)N1c1ncccc1Cl
InChIInChI=1S/C15H17ClN2O2/c16-11-5-4-8-17-14(11)18-12(19)9-15(10-13(18)20)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9-10H2
InChIKeyMMIMFPNYHATBGN-UHFFFAOYSA-N
XLogP3.34
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid
CID 63260102
8-(3-ethynylphenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 60976990
2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)pyridine-3-carboxylic acid
CID 63652542
2-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde
CID 114055531
5-amino-2-(3-chloro-2-pyridinyl)isoindole-1,3-dione
CID 103094637
[1-(3-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine
CID 107160290
2-(3-chloro-2-pyridinyl)-1H-pyrazol-3-one
CID 150556116
8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione
CID 81167435
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)benzonitrile
CID 43235115
8-[4-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride
CID 21271611
(7aS)-2-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-7a-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
CID 124727490
3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)benzoic acid
CID 61069830

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-pyridinyl)-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-(3-chloro-2-pyridinyl)-3-azaspiro[5.5]undecane-2,4-dione (CID 103094586) is 3-(3-chloro-2-pyridinyl)-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-(3-chloro-2-pyridinyl)-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-(3-chloro-2-pyridinyl)-3-azaspiro[5.5]undecane-2,4-dione is O=C1CC2(CCCCC2)CC(=O)N1c1ncccc1Cl.
What is the InChIKey of 3-(3-chloro-2-pyridinyl)-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is MMIMFPNYHATBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-11-5-4-8-17-14(11)18-12(19)9-15(10-13(18)20)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9-10H2.
What are the key properties of 3-(3-chloro-2-pyridinyl)-3-azaspiro[5.5]undecane-2,4-dione?
3-(3-chloro-2-pyridinyl)-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 292.77 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-pyridinyl)-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 103094586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).