9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one

C14H18N2O3 — CID 131645770

IUPAC9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1CCC2(CCCN(C(=O)c3ccoc3)CC2)N1
InChIInChI=1S/C14H18N2O3/c17-12-2-5-14(15-12)4-1-7-16(8-6-14)13(18)11-3-9-19-10-11/h3,9-10H,1-2,4-8H2,(H,15,17)
InChIKeyOETYTZFWQIFLBF-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.55
Rot. Bonds1

About 9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one

9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131645770) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131645770
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1CCC2(CCCN(C(=O)c3ccoc3)CC2)N1
InChIInChI=1S/C14H18N2O3/c17-12-2-5-14(15-12)4-1-7-16(8-6-14)13(18)11-3-9-19-10-11/h3,9-10H,1-2,4-8H2,(H,15,17)
InChIKeyOETYTZFWQIFLBF-UHFFFAOYSA-N
XLogP1.55
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]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

9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97450518
(5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484678
(5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97484681
8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one
CID 90653687
4-(furan-3-carbonyl)piperazine-2,6-dione
CID 66083593
1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile
CID 131683867
furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 84592483
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133574
9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97370792
8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one
CID 77094670
(5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895269
4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 63124826

Frequently Asked Questions

What is the IUPAC name of 9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 131645770) is 9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one is O=C1CCC2(CCCN(C(=O)c3ccoc3)CC2)N1.
What is the InChIKey of 9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is OETYTZFWQIFLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-12-2-5-14(15-12)4-1-7-16(8-6-14)13(18)11-3-9-19-10-11/h3,9-10H,1-2,4-8H2,(H,15,17).
What are the key properties of 9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131645770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).