(7R,8S)-8-cyano-7-phenyl-1,4-dioxaspiro[4.5]decane-8-carboxamide

C16H18N2O3 — CID 10957091

IUPAC(7R,8S)-8-cyano-7-phenyl-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESN#C[C@]1(C(N)=O)CCC2(C[C@@H]1c1ccccc1)OCCO2
InChIInChI=1S/C16H18N2O3/c17-11-15(14(18)19)6-7-16(20-8-9-21-16)10-13(15)12-4-2-1-3-5-12/h1-5,13H,6-10H2,(H2,18,19)/t13-,15-/m1/s1
InChIKeyDJWBUUCLZLBYAQ-UKRRQHHQSA-N
MW286.33 g/mol
LogP1.69
Rot. Bonds2

About (7R,8S)-8-cyano-7-phenyl-1,4-dioxaspiro[4.5]decane-8-carboxamide

(7R,8S)-8-cyano-7-phenyl-1,4-dioxaspiro[4.5]decane-8-carboxamide (PubChem CID 10957091) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (7R,8S)-8-cyano-7-phenyl-1,4-dioxaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name(7R,8S)-8-cyano-7-phenyl-1,4-dioxaspiro[4.5]decane-8-carboxamide
PubChem CID10957091
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(7R,8S)-8-cyano-7-phenyl-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESN#C[C@]1(C(N)=O)CCC2(C[C@@H]1c1ccccc1)OCCO2
InChIInChI=1S/C16H18N2O3/c17-11-15(14(18)19)6-7-16(20-8-9-21-16)10-13(15)12-4-2-1-3-5-12/h1-5,13H,6-10H2,(H2,18,19)/t13-,15-/m1/s1
InChIKeyDJWBUUCLZLBYAQ-UKRRQHHQSA-N
XLogP1.69
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-phenyl-1-(2-phenylacetyl)cyclopropane-1-carbonitrile
CID 102350213
[8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 5051864
(7S,9S)-7,9-diphenyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 12885727
methyl (1S,6R)-1-cyano-6-phenylcyclohex-3-ene-1-carboxylate
CID 11207214
1-amino-2-phenylcyclopropane-1-carbonitrile
CID 70611404
3-anilino-1-[(7S,8S)-8-cyano-1,4-dioxaspiro[4.5]decan-7-yl]pyrazole-4-carboxamide
CID 89471265
ethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 71613650
7-(benzenesulfonyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 86729363
8-(2-bromoanilino)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 61006229
(2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide
CID 11240789
2-(1,4-dioxaspiro[4.4]nonan-8-yl)-3-oxo-3-phenylpropanoic acid
CID 70384716
(7S,8R)-8-anilino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid
CID 68744279

Frequently Asked Questions

What is the IUPAC name of (7R,8S)-8-cyano-7-phenyl-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The IUPAC name of (7R,8S)-8-cyano-7-phenyl-1,4-dioxaspiro[4.5]decane-8-carboxamide (CID 10957091) is (7R,8S)-8-cyano-7-phenyl-1,4-dioxaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for (7R,8S)-8-cyano-7-phenyl-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for (7R,8S)-8-cyano-7-phenyl-1,4-dioxaspiro[4.5]decane-8-carboxamide is N#C[C@]1(C(N)=O)CCC2(C[C@@H]1c1ccccc1)OCCO2.
What is the InChIKey of (7R,8S)-8-cyano-7-phenyl-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The InChIKey is DJWBUUCLZLBYAQ-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-11-15(14(18)19)6-7-16(20-8-9-21-16)10-13(15)12-4-2-1-3-5-12/h1-5,13H,6-10H2,(H2,18,19)/t13-,15-/m1/s1.
What are the key properties of (7R,8S)-8-cyano-7-phenyl-1,4-dioxaspiro[4.5]decane-8-carboxamide?
(7R,8S)-8-cyano-7-phenyl-1,4-dioxaspiro[4.5]decane-8-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8S)-8-cyano-7-phenyl-1,4-dioxaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 10957091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).