N-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide

C12H17N3O2 — CID 167482184

IUPACN-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide
SMILESN#CC(C[C@@H]1CCC2(CCC2)NC1=O)NC=O
InChIInChI=1S/C12H17N3O2/c13-7-10(14-8-16)6-9-2-5-12(3-1-4-12)15-11(9)17/h8-10H,1-6H2,(H,14,16)(H,15,17)/t9-,10?/m0/s1
InChIKeyMFPRCTRQRWVUIL-RGURZIINSA-N
MW235.29 g/mol
LogP0.46
Rot. Bonds4

About N-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide

N-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide (PubChem CID 167482184) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide
PubChem CID167482184
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide
SMILESN#CC(C[C@@H]1CCC2(CCC2)NC1=O)NC=O
InChIInChI=1S/C12H17N3O2/c13-7-10(14-8-16)6-9-2-5-12(3-1-4-12)15-11(9)17/h8-10H,1-6H2,(H,14,16)(H,15,17)/t9-,10?/m0/s1
InChIKeyMFPRCTRQRWVUIL-RGURZIINSA-N
XLogP0.46
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide;1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane
CID 167482183
2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile
CID 167481421
N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;(3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-1-one
CID 167481429
N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;1-methoxy-1-(trifluoromethyl)cyclobutane;2-methylpropane
CID 167481665
(2S)-N-[(2S)-1-[[(1S)-1-cyano-2-[(6S)-5-oxo-4-azaspiro[2.5]octan-6-yl]ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 166494936
N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;1-methoxypropan-2-yl carbamate
CID 167481717
N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;2-methylpropane;3,3,3-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]-2-(trifluoromethyl)propanamide
CID 167481579
(2S)-N-[(1S)-1-cyano-2-[(6S)-5-oxo-4-azaspiro[2.5]octan-6-yl]ethyl]-4-cyclopentyl-1-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]pyrrolidine-2-carboxamide
CID 166840392
2-(2-tert-butyl-5,5,5-trifluoro-4-oxopentanoyl)-N-[1-cyano-2-(5-oxo-4-azaspiro[2.5]octan-6-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163501667
(3S,3aS,6aR)-2-[(2S)-2-tert-butyl-5,5,5-trifluoro-4-oxopentanoyl]-N-[(1S)-1-cyano-2-[(6S)-5-oxo-4-azaspiro[2.5]octan-6-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163501668
N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide
CID 166893698
(1R,4S,6R)-N-[(1S)-1-cyano-2-[(6S)-5-oxo-4-azaspiro[2.5]octan-6-yl]ethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-3-azabicyclo[4.1.0]heptane-4-carboxamide;molecular hydrogen
CID 167677667

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide?
The IUPAC name of N-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide (CID 167482184) is N-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide.
What is the SMILES notation for N-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide?
The canonical SMILES for N-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide is N#CC(C[C@@H]1CCC2(CCC2)NC1=O)NC=O.
What is the InChIKey of N-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide?
The InChIKey is MFPRCTRQRWVUIL-RGURZIINSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-7-10(14-8-16)6-9-2-5-12(3-1-4-12)15-11(9)17/h8-10H,1-6H2,(H,14,16)(H,15,17)/t9-,10?/m0/s1.
What are the key properties of N-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide?
N-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide has a molecular weight of 235.29 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyano-2-[(7S)-6-oxo-5-azaspiro[3.5]nonan-7-yl]ethyl]formamide is sourced from PubChem (CID 167482184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).