N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide

C16H22N2O3 — CID 83205581

IUPACN-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide
SMILESO=C(Cn1cc2c(c1)C(=O)CCCC2)NC1CCOCC1
InChIInChI=1S/C16H22N2O3/c19-15-4-2-1-3-12-9-18(10-14(12)15)11-16(20)17-13-5-7-21-8-6-13/h9-10,13H,1-8,11H2,(H,17,20)
InChIKeyAFHQWZBVGGDJKD-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.69
Rot. Bonds3

About N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide

N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide (PubChem CID 83205581) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide
PubChem CID83205581
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide
SMILESO=C(Cn1cc2c(c1)C(=O)CCCC2)NC1CCOCC1
InChIInChI=1S/C16H22N2O3/c19-15-4-2-1-3-12-9-18(10-14(12)15)11-16(20)17-13-5-7-21-8-6-13/h9-10,13H,1-8,11H2,(H,17,20)
InChIKeyAFHQWZBVGGDJKD-UHFFFAOYSA-N
XLogP1.69
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide?
The IUPAC name of N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide (CID 83205581) is N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide is O=C(Cn1cc2c(c1)C(=O)CCCC2)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide?
The InChIKey is AFHQWZBVGGDJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15-4-2-1-3-12-9-18(10-14(12)15)11-16(20)17-13-5-7-21-8-6-13/h9-10,13H,1-8,11H2,(H,17,20).
What are the key properties of N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide?
N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide is sourced from PubChem (CID 83205581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).