N-pentan-3-yltricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

C15H17NO — CID 123447344

IUPACN-pentan-3-yltricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCCC(CC)NC(=O)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C15H17NO/c1-3-10(4-2)16-15(17)12-6-5-11-13-7-9(13)8-14(11)12/h5-8,10,13H,3-4H2,1-2H3,(H,16,17)
InChIKeyOAZBVGISSGKBLF-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.65
Rot. Bonds4

About N-pentan-3-yltricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

N-pentan-3-yltricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123447344) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-pentan-3-yltricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-pentan-3-yltricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
PubChem CID123447344
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-pentan-3-yltricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCCC(CC)NC(=O)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C15H17NO/c1-3-10(4-2)16-15(17)12-6-5-11-13-7-9(13)8-14(11)12/h5-8,10,13H,3-4H2,1-2H3,(H,16,17)
InChIKeyOAZBVGISSGKBLF-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yltricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The IUPAC name of N-pentan-3-yltricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123447344) is N-pentan-3-yltricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-pentan-3-yltricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The canonical SMILES for N-pentan-3-yltricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is CCC(CC)NC(=O)C1=CC=C2C1=CC1=CC12.
What is the InChIKey of N-pentan-3-yltricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The InChIKey is OAZBVGISSGKBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-10(4-2)16-15(17)12-6-5-11-13-7-9(13)8-14(11)12/h5-8,10,13H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-pentan-3-yltricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
N-pentan-3-yltricyclo[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 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yltricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123447344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).