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

C15H17NO — CID 123563798

IUPACN-[(2R)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C15H17NO/c1-8(2)9(3)16-15(17)12-5-4-11-13-6-10(13)7-14(11)12/h4-9,13H,1-3H3,(H,16,17)/t9-,13?/m1/s1
InChIKeyWETDFESRPCPWJQ-CGCSKFHYSA-N
MW227.31 g/mol
LogP2.51
Rot. Bonds3

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

N-[(2R)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123563798) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
PubChem CID123563798
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-[(2R)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C15H17NO/c1-8(2)9(3)16-15(17)12-5-4-11-13-6-10(13)7-14(11)12/h4-9,13H,1-3H3,(H,16,17)/t9-,13?/m1/s1
InChIKeyWETDFESRPCPWJQ-CGCSKFHYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(2S)-1-fluoro-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123563798) is N-[(2R)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is CC(C)[C@@H](C)NC(=O)C1=CC=C2C1=CC1=CC12.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The InChIKey is WETDFESRPCPWJQ-CGCSKFHYSA-N. The full InChI is InChI=1S/C15H17NO/c1-8(2)9(3)16-15(17)12-5-4-11-13-6-10(13)7-14(11)12/h4-9,13H,1-3H3,(H,16,17)/t9-,13?/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
N-[(2R)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123563798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).