1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone

C10H19NO4 — CID 949153

IUPAC1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
SMILESCC(=O)N1CCOCCOCCOCC1
InChIInChI=1S/C10H19NO4/c1-10(12)11-2-4-13-6-8-15-9-7-14-5-3-11/h2-9H2,1H3
InChIKeyMRAOMDMPVBOTLE-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.10
Rot. Bonds

About 1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone

1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone (PubChem CID 949153) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone.

Molecular Properties

Compound Name1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
PubChem CID949153
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
SMILESCC(=O)N1CCOCCOCCOCC1
InChIInChI=1S/C10H19NO4/c1-10(12)11-2-4-13-6-8-15-9-7-14-5-3-11/h2-9H2,1H3
InChIKeyMRAOMDMPVBOTLE-UHFFFAOYSA-N
XLogP-0.10
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10335257
morpholine-4-carbaldehyde;1-morpholin-4-ylethanone
CID 158454049
1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone
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CID 109146746
1-(5-acetyl-1,4,5-oxadiazepan-4-yl)ethanone
CID 11735587
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 2235310
1,4-dioxane;propan-2-one
CID 22407776
N-acetylmorpholine-4-carboxamide
CID 102407930
(E)-2-methyl-3-morpholin-4-ylbut-2-enoic acid
CID 66776820
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CID 592427

Frequently Asked Questions

What is the IUPAC name of 1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone?
The IUPAC name of 1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone (CID 949153) is 1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone.
What is the SMILES notation for 1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone?
The canonical SMILES for 1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone is CC(=O)N1CCOCCOCCOCC1.
What is the InChIKey of 1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone?
The InChIKey is MRAOMDMPVBOTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(12)11-2-4-13-6-8-15-9-7-14-5-3-11/h2-9H2,1H3.
What are the key properties of 1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone?
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone has a molecular weight of 217.26 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone is sourced from PubChem (CID 949153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).