N-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

C15H13NO — CID 123190397

IUPACN-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESC#CC(C)(C)NC(=O)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C15H13NO/c1-4-15(2,3)16-14(17)11-6-5-10-12-7-9(12)8-13(10)11/h1,5-8,12H,2-3H3,(H,16,17)
InChIKeyOMUGQPBFPOSTTP-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.88
Rot. Bonds2

About N-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

N-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123190397) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is N-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
PubChem CID123190397
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC NameN-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESC#CC(C)(C)NC(=O)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C15H13NO/c1-4-15(2,3)16-14(17)11-6-5-10-12-7-9(12)8-13(10)11/h1,5-8,12H,2-3H3,(H,16,17)
InChIKeyOMUGQPBFPOSTTP-UHFFFAOYSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123580742
N-(1,1,1-trifluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123866150
N-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123433989
N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123475009
N-tert-butyltricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 124027398
3-Cyclohex-2-yn-1-ylpyrrole-2,5-dione
CID 139707286

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The IUPAC name of N-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123190397) is N-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The canonical SMILES for N-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is C#CC(C)(C)NC(=O)C1=CC=C2C1=CC1=CC12.
What is the InChIKey of N-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The InChIKey is OMUGQPBFPOSTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-4-15(2,3)16-14(17)11-6-5-10-12-7-9(12)8-13(10)11/h1,5-8,12H,2-3H3,(H,16,17).
What are the key properties of N-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
N-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide has a molecular weight of 223.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123190397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).