(1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide

C17H24N2O3 — CID 99775068

IUPAC(1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESN#CC1(NC(=O)C2[C@@H]3CCCC[C@@H]23)CCC2(CC1)OCCO2
InChIInChI=1S/C17H24N2O3/c18-11-16(5-7-17(8-6-16)21-9-10-22-17)19-15(20)14-12-3-1-2-4-13(12)14/h12-14H,1-10H2,(H,19,20)/t12-,13-/m1/s1
InChIKeyFHCMQDHVXQGLHS-CHWSQXEVSA-N
MW304.39 g/mol
LogP2.12
Rot. Bonds2

About (1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide

(1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 99775068) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID99775068
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESN#CC1(NC(=O)C2[C@@H]3CCCC[C@@H]23)CCC2(CC1)OCCO2
InChIInChI=1S/C17H24N2O3/c18-11-16(5-7-17(8-6-16)21-9-10-22-17)19-15(20)14-12-3-1-2-4-13(12)14/h12-14H,1-10H2,(H,19,20)/t12-,13-/m1/s1
InChIKeyFHCMQDHVXQGLHS-CHWSQXEVSA-N
XLogP2.12
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide with MolForge

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Related Compounds

N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79673742
N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79673741
N-(1-cyanocyclooctyl)cyclohexanecarboxamide
CID 54904581
N-(1-cyanocyclohexyl)oxane-2-carboxamide
CID 62213888
N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide
CID 55023761
8-(3-hydroxypropylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 62588215
1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid
CID 81356177
N-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide
CID 55151061
(2R)-N-(1-cyanocyclopropyl)-2-cycloheptyloxypropanamide
CID 97063618
(1R,6R)-N-[2-[(1-cyanocyclopropyl)methylamino]-2-oxoethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99777894
(1S,6S)-N-[2-[(1-cyanocyclopropyl)methylamino]-2-oxoethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99777896
N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide
CID 65018223

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide (CID 99775068) is (1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide is N#CC1(NC(=O)C2[C@@H]3CCCC[C@@H]23)CCC2(CC1)OCCO2.
What is the InChIKey of (1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is FHCMQDHVXQGLHS-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H24N2O3/c18-11-16(5-7-17(8-6-16)21-9-10-22-17)19-15(20)14-12-3-1-2-4-13(12)14/h12-14H,1-10H2,(H,19,20)/t12-,13-/m1/s1.
What are the key properties of (1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide?
(1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 99775068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).