9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one

C17H25N3O3 — CID 97495819

IUPAC9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCC(C)CN1CCNC(=O)C12CCN(C(=O)c1ccco1)CC2
InChIInChI=1S/C17H25N3O3/c1-13(2)12-20-10-7-18-16(22)17(20)5-8-19(9-6-17)15(21)14-4-3-11-23-14/h3-4,11,13H,5-10,12H2,1-2H3,(H,18,22)
InChIKeyGCOJCUGSFJGFER-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.34
Rot. Bonds3

About 9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one

9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97495819) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97495819
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCC(C)CN1CCNC(=O)C12CCN(C(=O)c1ccco1)CC2
InChIInChI=1S/C17H25N3O3/c1-13(2)12-20-10-7-18-16(22)17(20)5-8-19(9-6-17)15(21)14-4-3-11-23-14/h3-4,11,13H,5-10,12H2,1-2H3,(H,18,22)
InChIKeyGCOJCUGSFJGFER-UHFFFAOYSA-N
XLogP1.34
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27377648
9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373327
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
8-(furan-2-carbonyl)-4-(2-methylbutyl)-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 42824576
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one
CID 811451
furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82243423
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 78789973
azepan-1-yl(furan-2-yl)methanone
CID 5200992
furan-2-yl-[2-(2-methylpropyl)-1,1-dioxospiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl]methanone
CID 97361185
furan-2-yl-(3-methylpiperazin-1-yl)methanone
CID 64980953

Frequently Asked Questions

What is the IUPAC name of 9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97495819) is 9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one is CC(C)CN1CCNC(=O)C12CCN(C(=O)c1ccco1)CC2.
What is the InChIKey of 9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is GCOJCUGSFJGFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13(2)12-20-10-7-18-16(22)17(20)5-8-19(9-6-17)15(21)14-4-3-11-23-14/h3-4,11,13H,5-10,12H2,1-2H3,(H,18,22).
What are the key properties of 9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 319.40 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97495819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).