4-[4-(2-oxoazepan-1-yl)butan-2-yl]morpholin-3-one

C14H24N2O3 — CID 70142413

IUPAC4-[4-(2-oxoazepan-1-yl)butan-2-yl]morpholin-3-one
SMILESCC(CCN1CCCCCC1=O)N1CCOCC1=O
InChIInChI=1S/C14H24N2O3/c1-12(16-9-10-19-11-14(16)18)6-8-15-7-4-2-3-5-13(15)17/h12H,2-11H2,1H3
InChIKeyHQNICWLPZXVRQW-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.03
Rot. Bonds4

About 4-[4-(2-oxoazepan-1-yl)butan-2-yl]morpholin-3-one

4-[4-(2-oxoazepan-1-yl)butan-2-yl]morpholin-3-one (PubChem CID 70142413) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[4-(2-oxoazepan-1-yl)butan-2-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-(2-oxoazepan-1-yl)butan-2-yl]morpholin-3-one
PubChem CID70142413
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-[4-(2-oxoazepan-1-yl)butan-2-yl]morpholin-3-one
SMILESCC(CCN1CCCCCC1=O)N1CCOCC1=O
InChIInChI=1S/C14H24N2O3/c1-12(16-9-10-19-11-14(16)18)6-8-15-7-4-2-3-5-13(15)17/h12H,2-11H2,1H3
InChIKeyHQNICWLPZXVRQW-UHFFFAOYSA-N
XLogP1.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-oxoazepan-1-yl)butan-2-yl]morpholin-3-one?
The IUPAC name of 4-[4-(2-oxoazepan-1-yl)butan-2-yl]morpholin-3-one (CID 70142413) is 4-[4-(2-oxoazepan-1-yl)butan-2-yl]morpholin-3-one.
What is the SMILES notation for 4-[4-(2-oxoazepan-1-yl)butan-2-yl]morpholin-3-one?
The canonical SMILES for 4-[4-(2-oxoazepan-1-yl)butan-2-yl]morpholin-3-one is CC(CCN1CCCCCC1=O)N1CCOCC1=O.
What is the InChIKey of 4-[4-(2-oxoazepan-1-yl)butan-2-yl]morpholin-3-one?
The InChIKey is HQNICWLPZXVRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-12(16-9-10-19-11-14(16)18)6-8-15-7-4-2-3-5-13(15)17/h12H,2-11H2,1H3.
What are the key properties of 4-[4-(2-oxoazepan-1-yl)butan-2-yl]morpholin-3-one?
4-[4-(2-oxoazepan-1-yl)butan-2-yl]morpholin-3-one has a molecular weight of 268.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-oxoazepan-1-yl)butan-2-yl]morpholin-3-one is sourced from PubChem (CID 70142413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).