[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone

C15H23NO3 — CID 79560605

IUPAC[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCCCCC2CC(C)O)o1
InChIInChI=1S/C15H23NO3/c1-11(17)10-13-6-4-3-5-9-16(13)15(18)14-8-7-12(2)19-14/h7-8,11,13,17H,3-6,9-10H2,1-2H3
InChIKeyCQTWDJZDOWRFLG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.74
Rot. Bonds3

About [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone

[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 79560605) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
PubChem CID79560605
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCCCCC2CC(C)O)o1
InChIInChI=1S/C15H23NO3/c1-11(17)10-13-6-4-3-5-9-16(13)15(18)14-8-7-12(2)19-14/h7-8,11,13,17H,3-6,9-10H2,1-2H3
InChIKeyCQTWDJZDOWRFLG-UHFFFAOYSA-N
XLogP2.74
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 79539295
[2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 116639926
(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79560435
[2-(aminomethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone;hydrochloride
CID 119468513
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 66261406
(3,5-dihydroxyphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 107704806
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 79560105
[2-(2-hydroxypropyl)azepan-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 79539838
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 62467531
(2-chlorofuran-3-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 112748131
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 79552839
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 79549123

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone (CID 79560605) is [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CCCCCC2CC(C)O)o1.
What is the InChIKey of [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is CQTWDJZDOWRFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(17)10-13-6-4-3-5-9-16(13)15(18)14-8-7-12(2)19-14/h7-8,11,13,17H,3-6,9-10H2,1-2H3.
What are the key properties of [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone?
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 265.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 79560605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).