(2R,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxamide

C17H13NO — CID 98156633

IUPAC(2R,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxamide
SMILESNC(=O)C12c3ccccc3[C@@H]3C1[C@@H]3c1ccccc12
InChIInChI=1S/C17H13NO/c18-16(19)17-11-7-3-1-5-9(11)13-14(15(13)17)10-6-2-4-8-12(10)17/h1-8,13-15H,(H2,18,19)/t13-,14+,15?,17?
InChIKeyAPBYGDFDFJZOHO-KWOWKCNFSA-N
MW247.30 g/mol
LogP2.28
Rot. Bonds1

About (2R,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxamide

(2R,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxamide (PubChem CID 98156633) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is (2R,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxamide.

Molecular Properties

Compound Name(2R,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxamide
PubChem CID98156633
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name(2R,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxamide
SMILESNC(=O)C12c3ccccc3[C@@H]3C1[C@@H]3c1ccccc12
InChIInChI=1S/C17H13NO/c18-16(19)17-11-7-3-1-5-9(11)13-14(15(13)17)10-6-2-4-8-12(10)17/h1-8,13-15H,(H2,18,19)/t13-,14+,15?,17?
InChIKeyAPBYGDFDFJZOHO-KWOWKCNFSA-N
XLogP2.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carbaldehyde
CID 90482137
9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine
CID 90482134
1-(9-acetyl-1-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaenyl)ethanone
CID 15351273
(2S,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carbaldehyde
CID 98163241
(1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol
CID 98554614
pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol
CID 90482140
dipropyl heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaene-1,9-dicarboxylate
CID 139195886
(1S,2R)-1-amino-2-hydroxy-2,3-dihydroindene-1-carboxamide
CID 22862755
(2R,6S)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxamide
CID 86756068
8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 45084610
(1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride
CID 138400479
pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-1-seleninic acid
CID 10522832

Frequently Asked Questions

What is the IUPAC name of (2R,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxamide?
The IUPAC name of (2R,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxamide (CID 98156633) is (2R,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxamide.
What is the SMILES notation for (2R,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxamide?
The canonical SMILES for (2R,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxamide is NC(=O)C12c3ccccc3[C@@H]3C1[C@@H]3c1ccccc12.
What is the InChIKey of (2R,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxamide?
The InChIKey is APBYGDFDFJZOHO-KWOWKCNFSA-N. The full InChI is InChI=1S/C17H13NO/c18-16(19)17-11-7-3-1-5-9(11)13-14(15(13)17)10-6-2-4-8-12(10)17/h1-8,13-15H,(H2,18,19)/t13-,14+,15?,17?.
What are the key properties of (2R,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxamide?
(2R,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,16S)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxamide is sourced from PubChem (CID 98156633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).