(5-bromofuran-2-yl)-(9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecan-5-yl)methanone;hydrochloride

C15H22BrClN2O3 — CID 45369669

IUPAC(5-bromofuran-2-yl)-(9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecan-5-yl)methanone;hydrochloride
SMILESCCN1CCC2(CC1)OCCCN2C(=O)c1ccc(Br)o1.Cl
InChIInChI=1S/C15H21BrN2O3.ClH/c1-2-17-9-6-15(7-10-17)18(8-3-11-20-15)14(19)12-4-5-13(16)21-12;/h4-5H,2-3,6-11H2,1H3;1H
InChIKeyCTFDRAUXKHDYER-UHFFFAOYSA-N
MW393.71 g/mol
LogP3.14
Rot. Bonds2

About (5-bromofuran-2-yl)-(9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecan-5-yl)methanone;hydrochloride

(5-bromofuran-2-yl)-(9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecan-5-yl)methanone;hydrochloride (PubChem CID 45369669) has the molecular formula C15H22BrClN2O3 and a molecular weight of 393.71 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecan-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecan-5-yl)methanone;hydrochloride
PubChem CID45369669
Molecular FormulaC15H22BrClN2O3
Molecular Weight393.71 g/mol
Exact Mass392.05
IUPAC Name(5-bromofuran-2-yl)-(9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecan-5-yl)methanone;hydrochloride
SMILESCCN1CCC2(CC1)OCCCN2C(=O)c1ccc(Br)o1.Cl
InChIInChI=1S/C15H21BrN2O3.ClH/c1-2-17-9-6-15(7-10-17)18(8-3-11-20-15)14(19)12-4-5-13(16)21-12;/h4-5H,2-3,6-11H2,1H3;1H
InChIKeyCTFDRAUXKHDYER-UHFFFAOYSA-N
XLogP3.14
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.71
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 104595385
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CID 45370284
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CID 84581219
2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
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(5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 62060856
(5-bromofuran-2-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283148
(5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone
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1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125093
1-[1-(5-bromofuran-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549097
(5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65462950

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecan-5-yl)methanone;hydrochloride?
The IUPAC name of (5-bromofuran-2-yl)-(9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecan-5-yl)methanone;hydrochloride (CID 45369669) is (5-bromofuran-2-yl)-(9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecan-5-yl)methanone;hydrochloride.
What is the SMILES notation for (5-bromofuran-2-yl)-(9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecan-5-yl)methanone;hydrochloride?
The canonical SMILES for (5-bromofuran-2-yl)-(9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecan-5-yl)methanone;hydrochloride is CCN1CCC2(CC1)OCCCN2C(=O)c1ccc(Br)o1.Cl.
What is the InChIKey of (5-bromofuran-2-yl)-(9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecan-5-yl)methanone;hydrochloride?
The InChIKey is CTFDRAUXKHDYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3.ClH/c1-2-17-9-6-15(7-10-17)18(8-3-11-20-15)14(19)12-4-5-13(16)21-12;/h4-5H,2-3,6-11H2,1H3;1H.
What are the key properties of (5-bromofuran-2-yl)-(9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecan-5-yl)methanone;hydrochloride?
(5-bromofuran-2-yl)-(9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecan-5-yl)methanone;hydrochloride has a molecular weight of 393.71 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecan-5-yl)methanone;hydrochloride is sourced from PubChem (CID 45369669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).