1-(5-propanoyl-1,4,5-oxadiazepan-4-yl)propan-1-one

C10H18N2O3 — CID 12845387

IUPAC1-(5-propanoyl-1,4,5-oxadiazepan-4-yl)propan-1-one
SMILESCCC(=O)N1CCOCCN1C(=O)CC
InChIInChI=1S/C10H18N2O3/c1-3-9(13)11-5-7-15-8-6-12(11)10(14)4-2/h3-8H2,1-2H3
InChIKeyNXGLQTXMUDMFHZ-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.41
Rot. Bonds2

About 1-(5-propanoyl-1,4,5-oxadiazepan-4-yl)propan-1-one

1-(5-propanoyl-1,4,5-oxadiazepan-4-yl)propan-1-one (PubChem CID 12845387) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(5-propanoyl-1,4,5-oxadiazepan-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-propanoyl-1,4,5-oxadiazepan-4-yl)propan-1-one
PubChem CID12845387
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(5-propanoyl-1,4,5-oxadiazepan-4-yl)propan-1-one
SMILESCCC(=O)N1CCOCCN1C(=O)CC
InChIInChI=1S/C10H18N2O3/c1-3-9(13)11-5-7-15-8-6-12(11)10(14)4-2/h3-8H2,1-2H3
InChIKeyNXGLQTXMUDMFHZ-UHFFFAOYSA-N
XLogP0.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
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ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate
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(2-morpholin-4-yl-2-oxoethyl) acetate;propanamide
CID 174960121
4-hydroxymorpholine;propane
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ethane;1-morpholin-4-ylhexan-1-one
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2-isocyano-1-morpholin-4-ylbutan-1-one
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ethane;(2-morpholin-4-yl-2-oxoethyl)azanide;yttrium
CID 153399009
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
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CID 173114217

Frequently Asked Questions

What is the IUPAC name of 1-(5-propanoyl-1,4,5-oxadiazepan-4-yl)propan-1-one?
The IUPAC name of 1-(5-propanoyl-1,4,5-oxadiazepan-4-yl)propan-1-one (CID 12845387) is 1-(5-propanoyl-1,4,5-oxadiazepan-4-yl)propan-1-one.
What is the SMILES notation for 1-(5-propanoyl-1,4,5-oxadiazepan-4-yl)propan-1-one?
The canonical SMILES for 1-(5-propanoyl-1,4,5-oxadiazepan-4-yl)propan-1-one is CCC(=O)N1CCOCCN1C(=O)CC.
What is the InChIKey of 1-(5-propanoyl-1,4,5-oxadiazepan-4-yl)propan-1-one?
The InChIKey is NXGLQTXMUDMFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-9(13)11-5-7-15-8-6-12(11)10(14)4-2/h3-8H2,1-2H3.
What are the key properties of 1-(5-propanoyl-1,4,5-oxadiazepan-4-yl)propan-1-one?
1-(5-propanoyl-1,4,5-oxadiazepan-4-yl)propan-1-one has a molecular weight of 214.26 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propanoyl-1,4,5-oxadiazepan-4-yl)propan-1-one is sourced from PubChem (CID 12845387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).