5-[(Z)-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)prop-1-enyl]pyrimidine-2-carboxylic acid

C19H18N2O2 — CID 70476089

IUPAC5-[(Z)-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)prop-1-enyl]pyrimidine-2-carboxylic acid
SMILESC/C(=C/c1cnc(C(=O)O)nc1)c1ccc2c(c1)C1CCC2C1
InChIInChI=1S/C19H18N2O2/c1-11(6-12-9-20-18(19(22)23)21-10-12)13-4-5-16-14-2-3-15(7-14)17(16)8-13/h4-6,8-10,14-15H,2-3,7H2,1H3,(H,22,23)/b11-6-
InChIKeyANJRIHXBZKGHGW-WDZFZDKYSA-N
MW306.37 g/mol
LogP4.10
Rot. Bonds3

About 5-[(Z)-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)prop-1-enyl]pyrimidine-2-carboxylic acid

5-[(Z)-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)prop-1-enyl]pyrimidine-2-carboxylic acid (PubChem CID 70476089) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-[(Z)-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)prop-1-enyl]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(Z)-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)prop-1-enyl]pyrimidine-2-carboxylic acid
PubChem CID70476089
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name5-[(Z)-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)prop-1-enyl]pyrimidine-2-carboxylic acid
SMILESC/C(=C/c1cnc(C(=O)O)nc1)c1ccc2c(c1)C1CCC2C1
InChIInChI=1S/C19H18N2O2/c1-11(6-12-9-20-18(19(22)23)21-10-12)13-4-5-16-14-2-3-15(7-14)17(16)8-13/h4-6,8-10,14-15H,2-3,7H2,1H3,(H,22,23)/b11-6-
InChIKeyANJRIHXBZKGHGW-WDZFZDKYSA-N
XLogP4.10
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)prop-1-enyl]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-[(Z)-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)prop-1-enyl]pyrimidine-2-carboxylic acid (CID 70476089) is 5-[(Z)-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)prop-1-enyl]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-[(Z)-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)prop-1-enyl]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-[(Z)-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)prop-1-enyl]pyrimidine-2-carboxylic acid is C/C(=C/c1cnc(C(=O)O)nc1)c1ccc2c(c1)C1CCC2C1.
What is the InChIKey of 5-[(Z)-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)prop-1-enyl]pyrimidine-2-carboxylic acid?
The InChIKey is ANJRIHXBZKGHGW-WDZFZDKYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-11(6-12-9-20-18(19(22)23)21-10-12)13-4-5-16-14-2-3-15(7-14)17(16)8-13/h4-6,8-10,14-15H,2-3,7H2,1H3,(H,22,23)/b11-6-.
What are the key properties of 5-[(Z)-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)prop-1-enyl]pyrimidine-2-carboxylic acid?
5-[(Z)-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)prop-1-enyl]pyrimidine-2-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)prop-1-enyl]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 70476089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).