N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C14H22N2O — CID 97121023

IUPACN-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)N[C@H]2CCC[C@@H]2C#N)C1(C)C
InChIInChI=1S/C14H22N2O/c1-13(2)11(14(13,3)4)12(17)16-10-7-5-6-9(10)8-15/h9-11H,5-7H2,1-4H3,(H,16,17)/t9-,10+/m1/s1
InChIKeyZDDHPEKWWBKGFP-ZJUUUORDSA-N
MW234.34 g/mol
LogP2.48
Rot. Bonds2

About N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 97121023) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID97121023
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)N[C@H]2CCC[C@@H]2C#N)C1(C)C
InChIInChI=1S/C14H22N2O/c1-13(2)11(14(13,3)4)12(17)16-10-7-5-6-9(10)8-15/h9-11H,5-7H2,1-4H3,(H,16,17)/t9-,10+/m1/s1
InChIKeyZDDHPEKWWBKGFP-ZJUUUORDSA-N
XLogP2.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanocyclopentyl)cyclooctanecarboxamide
CID 65018663
N-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide
CID 79601921
[(1R,2R)-2-cyanocyclohexyl]carbamic acid
CID 89240043
N-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide
CID 114825541
N-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 106366495
3-amino-N-(2-cyanocyclopentyl)-3-methylbutanamide
CID 64679356
2-bromo-N-(2-cyanocyclopentyl)butanamide
CID 62962905
N-(2-cyanocyclopentyl)-2-cyclopentylacetamide
CID 62961621
N-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide
CID 114428968
N-(2-cyanocyclopentyl)-4-(methylamino)butanamide
CID 62961468
5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid
CID 62961989
4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide
CID 113280766

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 97121023) is N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)N[C@H]2CCC[C@@H]2C#N)C1(C)C.
What is the InChIKey of N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is ZDDHPEKWWBKGFP-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H22N2O/c1-13(2)11(14(13,3)4)12(17)16-10-7-5-6-9(10)8-15/h9-11H,5-7H2,1-4H3,(H,16,17)/t9-,10+/m1/s1.
What are the key properties of N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 97121023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).