(5-nitrofuran-2-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C14H18N2O5 — CID 155534176

IUPAC(5-nitrofuran-2-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C14H18N2O5/c17-13(11-3-4-12(21-11)16(18)19)15-8-6-14(7-9-15)5-1-2-10-20-14/h3-4H,1-2,5-10H2
InChIKeyWGEWFDURFSVKKN-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.36
Rot. Bonds2

About (5-nitrofuran-2-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

(5-nitrofuran-2-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 155534176) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (5-nitrofuran-2-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(5-nitrofuran-2-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID155534176
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(5-nitrofuran-2-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C14H18N2O5/c17-13(11-3-4-12(21-11)16(18)19)15-8-6-14(7-9-15)5-1-2-10-20-14/h3-4H,1-2,5-10H2
InChIKeyWGEWFDURFSVKKN-UHFFFAOYSA-N
XLogP2.36
TPSA85.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-nitrofuran-2-yl)methanone
CID 155550936
[4-methyl-4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 115304279
3-methyl-1-(5-nitrofuran-2-carbonyl)piperidine-3-carboxylic acid
CID 63133997
1-(5-nitrofuran-2-carbonyl)azepan-2-one
CID 18916082
2,8-diazaspiro[5.5]undecan-2-yl-(5-nitrofuran-2-yl)methanone
CID 102849848
[4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 119560801
3-ethyl-1-(5-nitrofuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146284
[4-(4-hydroxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 112763124
3-chloro-4-fluoro-N-[9-(5-nitrofuran-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzenesulfonamide
CID 155569708
2-[1-(5-nitrofuran-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980622
[2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone
CID 81484873

Frequently Asked Questions

What is the IUPAC name of (5-nitrofuran-2-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (5-nitrofuran-2-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 155534176) is (5-nitrofuran-2-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (5-nitrofuran-2-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (5-nitrofuran-2-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CCCCO2)CC1.
What is the InChIKey of (5-nitrofuran-2-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is WGEWFDURFSVKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-13(11-3-4-12(21-11)16(18)19)15-8-6-14(7-9-15)5-1-2-10-20-14/h3-4H,1-2,5-10H2.
What are the key properties of (5-nitrofuran-2-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
(5-nitrofuran-2-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 294.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitrofuran-2-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 155534176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).