N-[1-(hydroxymethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C15H15NO2 — CID 141292954

IUPACN-[1-(hydroxymethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC1(CO)CCC1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C15H15NO2/c17-8-15(4-1-5-15)16-14(18)11-3-2-10-12-6-9(12)7-13(10)11/h2-3,7,17H,1,4-6,8H2,(H,16,18)
InChIKeyVMYHEXXGZVVCEJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.52
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[1-(hydroxymethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141292954) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141292954
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC1(CO)CCC1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C15H15NO2/c17-8-15(4-1-5-15)16-14(18)11-3-2-10-12-6-9(12)7-13(10)11/h2-3,7,17H,1,4-6,8H2,(H,16,18)
InChIKeyVMYHEXXGZVVCEJ-UHFFFAOYSA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141292954) is N-[1-(hydroxymethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is O=C(NC1(CO)CCC1)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is VMYHEXXGZVVCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-8-15(4-1-5-15)16-14(18)11-3-2-10-12-6-9(12)7-13(10)11/h2-3,7,17H,1,4-6,8H2,(H,16,18).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[1-(hydroxymethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141292954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).