2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide

C12H18N2O2 — CID 80720993

IUPAC2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide
SMILESCCCC(C#N)C(=O)NC1CC2CCC1O2
InChIInChI=1S/C12H18N2O2/c1-2-3-8(7-13)12(15)14-10-6-9-4-5-11(10)16-9/h8-11H,2-6H2,1H3,(H,14,15)
InChIKeyHSCXBOHWMFNGDE-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.36
Rot. Bonds4

About 2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide

2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide (PubChem CID 80720993) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide.

Molecular Properties

Compound Name2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide
PubChem CID80720993
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide
SMILESCCCC(C#N)C(=O)NC1CC2CCC1O2
InChIInChI=1S/C12H18N2O2/c1-2-3-8(7-13)12(15)14-10-6-9-4-5-11(10)16-9/h8-11H,2-6H2,1H3,(H,14,15)
InChIKeyHSCXBOHWMFNGDE-UHFFFAOYSA-N
XLogP1.36
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131020268
2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131155558
(2R)-2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80721261
2-cyano-N-(2-methoxycyclopentyl)pentanamide
CID 55210163
2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide
CID 114546516
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
(2S)-2-amino-3,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
CID 80721257
2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride
CID 120992551
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride
CID 120562894
2-carbamothioyl-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
CID 80719880
2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanenitrile
CID 80720323

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide?
The IUPAC name of 2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide (CID 80720993) is 2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide.
What is the SMILES notation for 2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide?
The canonical SMILES for 2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide is CCCC(C#N)C(=O)NC1CC2CCC1O2.
What is the InChIKey of 2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide?
The InChIKey is HSCXBOHWMFNGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-3-8(7-13)12(15)14-10-6-9-4-5-11(10)16-9/h8-11H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide?
2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide has a molecular weight of 222.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide is sourced from PubChem (CID 80720993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).