N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C14H12N2O — CID 141293111

IUPACN-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(C#N)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H12N2O/c1-14(2,7-15)16-13(17)10-4-3-9-11-5-8(11)6-12(9)10/h3-4,6H,5H2,1-2H3,(H,16,17)
InChIKeyRCDNSUFBRKCYSL-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.91
Rot. Bonds2

About N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141293111) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141293111
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC NameN-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(C#N)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H12N2O/c1-14(2,7-15)16-13(17)10-4-3-9-11-5-8(11)6-12(9)10/h3-4,6H,5H2,1-2H3,(H,16,17)
InChIKeyRCDNSUFBRKCYSL-UHFFFAOYSA-N
XLogP1.91
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide with MolForge

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Related Compounds

N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292845
N-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292831
N-(2-cyanopropan-2-yl)pentalene-1-carboxamide
CID 141292973
N-(2-cyanopropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 141293117
N-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293152
N-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293206
N-(1-methylcyclopropyl)pentalene-1-carboxamide
CID 160314979
N-(1-methylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 160604964

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141293111) is N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CC(C)(C#N)NC(=O)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is RCDNSUFBRKCYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-14(2,7-15)16-13(17)10-4-3-9-11-5-8(11)6-12(9)10/h3-4,6H,5H2,1-2H3,(H,16,17).
What are the key properties of N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141293111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).