9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one

C15H20N2O3 — CID 131653156

IUPAC9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESCc1ccc(C(=O)N2CCCC3(CCNC3=O)CC2)o1
InChIInChI=1S/C15H20N2O3/c1-11-3-4-12(20-11)13(18)17-9-2-5-15(7-10-17)6-8-16-14(15)19/h3-4H,2,5-10H2,1H3,(H,16,19)
InChIKeyJPEBPKPNLTVGMH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.72
Rot. Bonds1

About 9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one

9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one (PubChem CID 131653156) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one.

Molecular Properties

Compound Name9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
PubChem CID131653156
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESCc1ccc(C(=O)N2CCCC3(CCNC3=O)CC2)o1
InChIInChI=1S/C15H20N2O3/c1-11-3-4-12(20-11)13(18)17-9-2-5-15(7-10-17)6-8-16-14(15)19/h3-4H,2,5-10H2,1H3,(H,16,19)
InChIKeyJPEBPKPNLTVGMH-UHFFFAOYSA-N
XLogP1.72
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-9-(5-methylfuran-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371973
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
(5S)-9-(5-methylfuran-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97372108
(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone
CID 155876019
9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131658395
(5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895363
(5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895110
2-ethyl-8-(5-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155870146
8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131657887
N'-hydroxy-4-methyl-1-(5-methylfuran-2-carbonyl)piperidine-4-carboximidamide
CID 107162414
(5-methylfuran-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 155874195
3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323265

Frequently Asked Questions

What is the IUPAC name of 9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The IUPAC name of 9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one (CID 131653156) is 9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one.
What is the SMILES notation for 9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The canonical SMILES for 9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one is Cc1ccc(C(=O)N2CCCC3(CCNC3=O)CC2)o1.
What is the InChIKey of 9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The InChIKey is JPEBPKPNLTVGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-3-4-12(20-11)13(18)17-9-2-5-15(7-10-17)6-8-16-14(15)19/h3-4H,2,5-10H2,1H3,(H,16,19).
What are the key properties of 9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one has a molecular weight of 276.34 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one is sourced from PubChem (CID 131653156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).