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

C14H12N2O — CID 123475009

IUPACN-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCC(C)(C#N)NC(=O)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C14H12N2O/c1-14(2,7-15)16-13(17)10-4-3-9-11-5-8(11)6-12(9)10/h3-6,11H,1-2H3,(H,16,17)
InChIKeyQJCYAUFERQFLMC-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.77
Rot. Bonds2

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

N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123475009) 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(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
PubChem CID123475009
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC NameN-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCC(C)(C#N)NC(=O)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C14H12N2O/c1-14(2,7-15)16-13(17)10-4-3-9-11-5-8(11)6-12(9)10/h3-6,11H,1-2H3,(H,16,17)
InChIKeyQJCYAUFERQFLMC-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 123580742
CID 123580742
CID 123866150
CID 123866150
CID 123190397
CID 123190397
CID 123433989
CID 123433989
CID 124027398
CID 124027398

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123475009) is N-(2-cyanopropan-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-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is CC(C)(C#N)NC(=O)C1=CC=C2C1=CC1=CC12.
What is the InChIKey of N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The InChIKey is QJCYAUFERQFLMC-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/h3-6,11H,1-2H3,(H,16,17).
What are the key properties of N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 1.77, 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(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123475009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).