(5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone

C15H20ClNO3 — CID 128591781

IUPAC(5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone
SMILESO=C(c1ccc(Cl)o1)N1CCC2(CCC(O)CC2)CC1
InChIInChI=1S/C15H20ClNO3/c16-13-2-1-12(20-13)14(19)17-9-7-15(8-10-17)5-3-11(18)4-6-15/h1-2,11,18H,3-10H2
InChIKeyOZTZMFYGSGGJII-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.09
Rot. Bonds1

About (5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone

(5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone (PubChem CID 128591781) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone
PubChem CID128591781
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name(5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone
SMILESO=C(c1ccc(Cl)o1)N1CCC2(CCC(O)CC2)CC1
InChIInChI=1S/C15H20ClNO3/c16-13-2-1-12(20-13)14(19)17-9-7-15(8-10-17)5-3-11(18)4-6-15/h1-2,11,18H,3-10H2
InChIKeyOZTZMFYGSGGJII-UHFFFAOYSA-N
XLogP3.09
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 113245179
(5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 113226423
(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone
CID 106689868
(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)-(2-hydroxyphenyl)methanone
CID 128591808
(3-bromo-4-methylpiperidin-1-yl)-(5-chlorofuran-2-yl)methanone
CID 106690241
1-(5-chlorofuran-2-carbonyl)-4-methylsulfanylpiperidine-4-carbonitrile
CID 106684845
(5-chlorofuran-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 113236859
[4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride
CID 119520111
(5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551638
(5-chlorofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483493
(5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 29421852
(5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103845819

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone?
The IUPAC name of (5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone (CID 128591781) is (5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone is O=C(c1ccc(Cl)o1)N1CCC2(CCC(O)CC2)CC1.
What is the InChIKey of (5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone?
The InChIKey is OZTZMFYGSGGJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c16-13-2-1-12(20-13)14(19)17-9-7-15(8-10-17)5-3-11(18)4-6-15/h1-2,11,18H,3-10H2.
What are the key properties of (5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone?
(5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone has a molecular weight of 297.78 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone is sourced from PubChem (CID 128591781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).