N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide

C15H17N3O2 — CID 66210943

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)NC2C(N)C3CCCOC32)c1
InChIInChI=1S/C15H17N3O2/c16-8-9-3-1-4-10(7-9)15(19)18-13-12(17)11-5-2-6-20-14(11)13/h1,3-4,7,11-14H,2,5-6,17H2,(H,18,19)
InChIKeyPFRZOKBXTVAOJY-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.79
Rot. Bonds2

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide (PubChem CID 66210943) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide
PubChem CID66210943
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)NC2C(N)C3CCCOC32)c1
InChIInChI=1S/C15H17N3O2/c16-8-9-3-1-4-10(7-9)15(19)18-13-12(17)11-5-2-6-20-14(11)13/h1,3-4,7,11-14H,2,5-6,17H2,(H,18,19)
InChIKeyPFRZOKBXTVAOJY-UHFFFAOYSA-N
XLogP0.79
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzenesulfonamide
CID 66213103
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide
CID 66211147
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dihydroxybenzamide
CID 114345078
3-cyano-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91761164
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)naphthalene-2-carboxamide
CID 66195955
3-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82728473
4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-3-chlorobenzonitrile
CID 66213112
3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066723
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide
CID 107672151
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide
CID 66212891
3-cyano-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819738
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide
CID 107672150

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide (CID 66210943) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide is N#Cc1cccc(C(=O)NC2C(N)C3CCCOC32)c1.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide?
The InChIKey is PFRZOKBXTVAOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-8-9-3-1-4-10(7-9)15(19)18-13-12(17)11-5-2-6-20-14(11)13/h1,3-4,7,11-14H,2,5-6,17H2,(H,18,19).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide has a molecular weight of 271.32 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide is sourced from PubChem (CID 66210943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).