(1Z,3Z,5Z)-N-methyl-7-phenylbicyclo[5.3.1]undeca-1,3,5,8-tetraene-8-carboxamide

C19H19NO — CID 6312731

IUPAC(1Z,3Z,5Z)-N-methyl-7-phenylbicyclo[5.3.1]undeca-1,3,5,8-tetraene-8-carboxamide
SMILESCNC(=O)C1=CC/C2=C/C=C\C=C/C1(c1ccccc1)C2
InChIInChI=1S/C19H19NO/c1-20-18(21)17-12-11-15-8-4-3-7-13-19(17,14-15)16-9-5-2-6-10-16/h2-10,12-13H,11,14H2,1H3,(H,20,21)/b4-3-,13-7-,15-8-
InChIKeyXSJUDZSUMLOYQR-YKKGAICASA-N
MW277.37 g/mol
LogP3.44
Rot. Bonds2

About (1Z,3Z,5Z)-N-methyl-7-phenylbicyclo[5.3.1]undeca-1,3,5,8-tetraene-8-carboxamide

(1Z,3Z,5Z)-N-methyl-7-phenylbicyclo[5.3.1]undeca-1,3,5,8-tetraene-8-carboxamide (PubChem CID 6312731) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (1Z,3Z,5Z)-N-methyl-7-phenylbicyclo[5.3.1]undeca-1,3,5,8-tetraene-8-carboxamide.

Molecular Properties

Compound Name(1Z,3Z,5Z)-N-methyl-7-phenylbicyclo[5.3.1]undeca-1,3,5,8-tetraene-8-carboxamide
PubChem CID6312731
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(1Z,3Z,5Z)-N-methyl-7-phenylbicyclo[5.3.1]undeca-1,3,5,8-tetraene-8-carboxamide
SMILESCNC(=O)C1=CC/C2=C/C=C\C=C/C1(c1ccccc1)C2
InChIInChI=1S/C19H19NO/c1-20-18(21)17-12-11-15-8-4-3-7-13-19(17,14-15)16-9-5-2-6-10-16/h2-10,12-13H,11,14H2,1H3,(H,20,21)/b4-3-,13-7-,15-8-
InChIKeyXSJUDZSUMLOYQR-YKKGAICASA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z)-N-methyl-7-phenylbicyclo[5.3.1]undeca-1,3,5,8-tetraene-8-carboxamide?
The IUPAC name of (1Z,3Z,5Z)-N-methyl-7-phenylbicyclo[5.3.1]undeca-1,3,5,8-tetraene-8-carboxamide (CID 6312731) is (1Z,3Z,5Z)-N-methyl-7-phenylbicyclo[5.3.1]undeca-1,3,5,8-tetraene-8-carboxamide.
What is the SMILES notation for (1Z,3Z,5Z)-N-methyl-7-phenylbicyclo[5.3.1]undeca-1,3,5,8-tetraene-8-carboxamide?
The canonical SMILES for (1Z,3Z,5Z)-N-methyl-7-phenylbicyclo[5.3.1]undeca-1,3,5,8-tetraene-8-carboxamide is CNC(=O)C1=CC/C2=C/C=C\C=C/C1(c1ccccc1)C2.
What is the InChIKey of (1Z,3Z,5Z)-N-methyl-7-phenylbicyclo[5.3.1]undeca-1,3,5,8-tetraene-8-carboxamide?
The InChIKey is XSJUDZSUMLOYQR-YKKGAICASA-N. The full InChI is InChI=1S/C19H19NO/c1-20-18(21)17-12-11-15-8-4-3-7-13-19(17,14-15)16-9-5-2-6-10-16/h2-10,12-13H,11,14H2,1H3,(H,20,21)/b4-3-,13-7-,15-8-.
What are the key properties of (1Z,3Z,5Z)-N-methyl-7-phenylbicyclo[5.3.1]undeca-1,3,5,8-tetraene-8-carboxamide?
(1Z,3Z,5Z)-N-methyl-7-phenylbicyclo[5.3.1]undeca-1,3,5,8-tetraene-8-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z)-N-methyl-7-phenylbicyclo[5.3.1]undeca-1,3,5,8-tetraene-8-carboxamide is sourced from PubChem (CID 6312731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).