(1R,7R)-4-phenyl-3,5-dioxabicyclo[5.1.0]octane-1-carboxamide

C13H15NO3 — CID 140666593

IUPAC(1R,7R)-4-phenyl-3,5-dioxabicyclo[5.1.0]octane-1-carboxamide
SMILESNC(=O)[C@@]12COC(c3ccccc3)OC[C@@H]1C2
InChIInChI=1S/C13H15NO3/c14-12(15)13-6-10(13)7-16-11(17-8-13)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,14,15)/t10-,11?,13-/m0/s1
InChIKeyCIWZKPNESFFQGI-BJEKPXQXSA-N
MW233.27 g/mol
LogP1.22
Rot. Bonds2

About (1R,7R)-4-phenyl-3,5-dioxabicyclo[5.1.0]octane-1-carboxamide

(1R,7R)-4-phenyl-3,5-dioxabicyclo[5.1.0]octane-1-carboxamide (PubChem CID 140666593) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (1R,7R)-4-phenyl-3,5-dioxabicyclo[5.1.0]octane-1-carboxamide.

Molecular Properties

Compound Name(1R,7R)-4-phenyl-3,5-dioxabicyclo[5.1.0]octane-1-carboxamide
PubChem CID140666593
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(1R,7R)-4-phenyl-3,5-dioxabicyclo[5.1.0]octane-1-carboxamide
SMILESNC(=O)[C@@]12COC(c3ccccc3)OC[C@@H]1C2
InChIInChI=1S/C13H15NO3/c14-12(15)13-6-10(13)7-16-11(17-8-13)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,14,15)/t10-,11?,13-/m0/s1
InChIKeyCIWZKPNESFFQGI-BJEKPXQXSA-N
XLogP1.22
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1,3-dioxane-5-carbonyl chloride
CID 18682418
methyl 5-methyl-2-phenyl-1,3-dioxane-5-carboxylate
CID 142132815
S-(2-phenyl-1,3-dioxan-5-yl) ethanethioate
CID 10752419
(2-phenyl-1,3-dioxan-5-yl) (2S)-2-aminopropanoate
CID 102258181
4-phenyl-3,5-dioxa-8-thiabicyclo[5.1.0]octane
CID 162369787
(1R,4S,5S)-1-acetyl-4-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 11183528
(5-methyl-2-phenyl-1,3-dioxan-5-yl)methyl 2-methylprop-2-enoate
CID 88985259
(4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide
CID 774799
2-phenyl-1,3-dioxolan-4-ol
CID 23288237
2-[[(4S)-2-phenyl-1,3-dioxolan-4-yl]methylamino]benzamide
CID 175775271
(E)-3-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]prop-2-enoic acid
CID 70003261
methyl (2S)-2-hydroxy-2-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]acetate
CID 165345559

Frequently Asked Questions

What is the IUPAC name of (1R,7R)-4-phenyl-3,5-dioxabicyclo[5.1.0]octane-1-carboxamide?
The IUPAC name of (1R,7R)-4-phenyl-3,5-dioxabicyclo[5.1.0]octane-1-carboxamide (CID 140666593) is (1R,7R)-4-phenyl-3,5-dioxabicyclo[5.1.0]octane-1-carboxamide.
What is the SMILES notation for (1R,7R)-4-phenyl-3,5-dioxabicyclo[5.1.0]octane-1-carboxamide?
The canonical SMILES for (1R,7R)-4-phenyl-3,5-dioxabicyclo[5.1.0]octane-1-carboxamide is NC(=O)[C@@]12COC(c3ccccc3)OC[C@@H]1C2.
What is the InChIKey of (1R,7R)-4-phenyl-3,5-dioxabicyclo[5.1.0]octane-1-carboxamide?
The InChIKey is CIWZKPNESFFQGI-BJEKPXQXSA-N. The full InChI is InChI=1S/C13H15NO3/c14-12(15)13-6-10(13)7-16-11(17-8-13)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,14,15)/t10-,11?,13-/m0/s1.
What are the key properties of (1R,7R)-4-phenyl-3,5-dioxabicyclo[5.1.0]octane-1-carboxamide?
(1R,7R)-4-phenyl-3,5-dioxabicyclo[5.1.0]octane-1-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R)-4-phenyl-3,5-dioxabicyclo[5.1.0]octane-1-carboxamide is sourced from PubChem (CID 140666593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).