(10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaene-9-carboxamide

C17H17NO — CID 6434978

IUPAC(10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaene-9-carboxamide
SMILESNC(=O)C1/C=C\C2=C(CCC=C2)Cc2ccccc21
InChIInChI=1S/C17H17NO/c18-17(19)16-10-9-12-5-1-2-6-13(12)11-14-7-3-4-8-15(14)16/h1,3-5,7-10,16H,2,6,11H2,(H2,18,19)/b10-9-
InChIKeyCIOLACDVLHSTNF-KTKRTIGZSA-N
MW251.33 g/mol
LogP3.01
Rot. Bonds1

About (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaene-9-carboxamide

(10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaene-9-carboxamide (PubChem CID 6434978) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaene-9-carboxamide.

Molecular Properties

Compound Name(10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaene-9-carboxamide
PubChem CID6434978
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaene-9-carboxamide
SMILESNC(=O)C1/C=C\C2=C(CCC=C2)Cc2ccccc21
InChIInChI=1S/C17H17NO/c18-17(19)16-10-9-12-5-1-2-6-13(12)11-14-7-3-4-8-15(14)16/h1,3-5,7-10,16H,2,6,11H2,(H2,18,19)/b10-9-
InChIKeyCIOLACDVLHSTNF-KTKRTIGZSA-N
XLogP3.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaene-9-carboxamide?
The IUPAC name of (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaene-9-carboxamide (CID 6434978) is (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaene-9-carboxamide.
What is the SMILES notation for (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaene-9-carboxamide?
The canonical SMILES for (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaene-9-carboxamide is NC(=O)C1/C=C\C2=C(CCC=C2)Cc2ccccc21.
What is the InChIKey of (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaene-9-carboxamide?
The InChIKey is CIOLACDVLHSTNF-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H17NO/c18-17(19)16-10-9-12-5-1-2-6-13(12)11-14-7-3-4-8-15(14)16/h1,3-5,7-10,16H,2,6,11H2,(H2,18,19)/b10-9-.
What are the key properties of (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaene-9-carboxamide?
(10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaene-9-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaene-9-carboxamide is sourced from PubChem (CID 6434978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).