N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclopentanecarboxamide

C12H20N2O2 — CID 66197662

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclopentanecarboxamide
SMILESNC1C2CCOC2C1NC(=O)C1CCCC1
InChIInChI=1S/C12H20N2O2/c13-9-8-5-6-16-11(8)10(9)14-12(15)7-3-1-2-4-7/h7-11H,1-6,13H2,(H,14,15)
InChIKeyNZFMFDYORGWOOY-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.41
Rot. Bonds2

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclopentanecarboxamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclopentanecarboxamide (PubChem CID 66197662) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclopentanecarboxamide
PubChem CID66197662
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclopentanecarboxamide
SMILESNC1C2CCOC2C1NC(=O)C1CCCC1
InChIInChI=1S/C12H20N2O2/c13-9-8-5-6-16-11(8)10(9)14-12(15)7-3-1-2-4-7/h7-11H,1-6,13H2,(H,14,15)
InChIKeyNZFMFDYORGWOOY-UHFFFAOYSA-N
XLogP0.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoropropanamide
CID 66196514
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4,4-trifluorobutanamide
CID 66196696
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2,2-trifluoroacetamide
CID 66197468
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929335
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929336
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 81932956
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209585
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310404
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2-difluoroacetamide
CID 103514217
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622498
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2,3,3-tetrafluoropropanamide
CID 108053808
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(2,2-difluoroethoxy)propanamide
CID 113788467

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclopentanecarboxamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclopentanecarboxamide (CID 66197662) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclopentanecarboxamide is NC1C2CCOC2C1NC(=O)C1CCCC1.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclopentanecarboxamide?
The InChIKey is NZFMFDYORGWOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-9-8-5-6-16-11(8)10(9)14-12(15)7-3-1-2-4-7/h7-11H,1-6,13H2,(H,14,15).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclopentanecarboxamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclopentanecarboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclopentanecarboxamide is sourced from PubChem (CID 66197662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).