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

C15H17NO2 — CID 123752809

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C15H17NO2/c1-8(2)14(7-17)16-15(18)11-4-3-10-12-5-9(12)6-13(10)11/h3-6,8,12,14,17H,7H2,1-2H3,(H,16,18)/t12?,14-/m1/s1
InChIKeyCWOWMBNLLUXKOR-TYZXPVIJSA-N
MW243.31 g/mol
LogP1.48
Rot. Bonds4

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

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123752809) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
PubChem CID123752809
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C15H17NO2/c1-8(2)14(7-17)16-15(18)11-4-3-10-12-5-9(12)6-13(10)11/h3-6,8,12,14,17H,7H2,1-2H3,(H,16,18)/t12?,14-/m1/s1
InChIKeyCWOWMBNLLUXKOR-TYZXPVIJSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123752809) is N-[(2S)-1-hydroxy-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-[(2S)-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is CC(C)[C@@H](CO)NC(=O)C1=CC=C2C1=CC1=CC12.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The InChIKey is CWOWMBNLLUXKOR-TYZXPVIJSA-N. The full InChI is InChI=1S/C15H17NO2/c1-8(2)14(7-17)16-15(18)11-4-3-10-12-5-9(12)6-13(10)11/h3-6,8,12,14,17H,7H2,1-2H3,(H,16,18)/t12?,14-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123752809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).