(1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C16H16N2O — CID 98787879

IUPAC(1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESN#Cc1cccc(NC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1
InChIInChI=1S/C16H16N2O/c17-8-9-2-1-3-12(6-9)18-16(19)15-13-10-4-5-11(7-10)14(13)15/h1-3,6,10-11,13-15H,4-5,7H2,(H,18,19)/t10-,11-,13+,14+/m0/s1
InChIKeyQATPIIDOUNOPFC-CDGCEXEKSA-N
MW252.32 g/mol
LogP2.79
Rot. Bonds2

About (1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

(1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 98787879) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound Name(1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID98787879
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESN#Cc1cccc(NC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1
InChIInChI=1S/C16H16N2O/c17-8-9-2-1-3-12(6-9)18-16(19)15-13-10-4-5-11(7-10)14(13)15/h1-3,6,10-11,13-15H,4-5,7H2,(H,18,19)/t10-,11-,13+,14+/m0/s1
InChIKeyQATPIIDOUNOPFC-CDGCEXEKSA-N
XLogP2.79
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide with MolForge

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Related Compounds

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CID 103760902
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CID 6922380
(2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide
CID 104900460
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CID 63042853
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CID 109151170
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1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
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2-N-(3-cyanophenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140997
1-N-(3-cyanophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143462

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of (1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 98787879) is (1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for (1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for (1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is N#Cc1cccc(NC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1.
What is the InChIKey of (1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is QATPIIDOUNOPFC-CDGCEXEKSA-N. The full InChI is InChI=1S/C16H16N2O/c17-8-9-2-1-3-12(6-9)18-16(19)15-13-10-4-5-11(7-10)14(13)15/h1-3,6,10-11,13-15H,4-5,7H2,(H,18,19)/t10-,11-,13+,14+/m0/s1.
What are the key properties of (1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
(1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 98787879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).