N-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide

C19H17NO — CID 125494989

IUPACN-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
SMILESC#CCNC(=O)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C19H17NO/c1-2-13-20-19(21)18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18/h1,3-10,18H,11-13H2,(H,20,21)
InChIKeyROLIXLWAZXCHBE-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.67
Rot. Bonds2

About N-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide

N-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide (PubChem CID 125494989) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is N-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
PubChem CID125494989
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC NameN-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
SMILESC#CCNC(=O)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C19H17NO/c1-2-13-20-19(21)18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18/h1,3-10,18H,11-13H2,(H,20,21)
InChIKeyROLIXLWAZXCHBE-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide?
The IUPAC name of N-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide (CID 125494989) is N-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide.
What is the SMILES notation for N-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide?
The canonical SMILES for N-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide is C#CCNC(=O)C1c2ccccc2CCc2ccccc21.
What is the InChIKey of N-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide?
The InChIKey is ROLIXLWAZXCHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-2-13-20-19(21)18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18/h1,3-10,18H,11-13H2,(H,20,21).
What are the key properties of N-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide?
N-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide is sourced from PubChem (CID 125494989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).