(5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone

C12H14ClNO4 — CID 103845819

IUPAC(5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1ccc(Cl)o1)N1CCCC2(C1)OCCO2
InChIInChI=1S/C12H14ClNO4/c13-10-3-2-9(18-10)11(15)14-5-1-4-12(8-14)16-6-7-17-12/h2-3H,1,4-8H2
InChIKeyHFNZRDUDSAHBIK-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.91
Rot. Bonds1

About (5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone

(5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 103845819) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID103845819
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name(5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1ccc(Cl)o1)N1CCCC2(C1)OCCO2
InChIInChI=1S/C12H14ClNO4/c13-10-3-2-9(18-10)11(15)14-5-1-4-12(8-14)16-6-7-17-12/h2-3H,1,4-8H2
InChIKeyHFNZRDUDSAHBIK-UHFFFAOYSA-N
XLogP1.91
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone with MolForge

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Related Compounds

1-(5-chlorofuran-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133539
(2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 106994159
(2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103890671
(3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103909366
(2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103892687
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
CID 103860781
(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone
CID 106689868
(5-chlorofuran-2-yl)-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97150459
1-[4-(5-chlorofuran-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 87030559
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone
CID 97246391
1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone
CID 103860774
(5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone
CID 128591781

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 103845819) is (5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone is O=C(c1ccc(Cl)o1)N1CCCC2(C1)OCCO2.
What is the InChIKey of (5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is HFNZRDUDSAHBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c13-10-3-2-9(18-10)11(15)14-5-1-4-12(8-14)16-6-7-17-12/h2-3H,1,4-8H2.
What are the key properties of (5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
(5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 271.70 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 103845819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).