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

C16H16N2O2 — CID 141293079

IUPACN-[1-(methylcarbamoyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCNC(=O)C1(NC(=O)C2=C3C=C4CC4=C3C=C2)CCC1
InChIInChI=1S/C16H16N2O2/c1-17-15(20)16(5-2-6-16)18-14(19)11-4-3-10-12-7-9(12)8-13(10)11/h3-4,8H,2,5-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyVZZZPGLPZVASTI-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.28
Rot. Bonds3

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

N-[1-(methylcarbamoyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141293079) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[1-(methylcarbamoyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(methylcarbamoyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141293079
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[1-(methylcarbamoyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCNC(=O)C1(NC(=O)C2=C3C=C4CC4=C3C=C2)CCC1
InChIInChI=1S/C16H16N2O2/c1-17-15(20)16(5-2-6-16)18-14(19)11-4-3-10-12-7-9(12)8-13(10)11/h3-4,8H,2,5-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyVZZZPGLPZVASTI-UHFFFAOYSA-N
XLogP1.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(methylcarbamoyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[1-(methylcarbamoyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141293079) is N-[1-(methylcarbamoyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[1-(methylcarbamoyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[1-(methylcarbamoyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CNC(=O)C1(NC(=O)C2=C3C=C4CC4=C3C=C2)CCC1.
What is the InChIKey of N-[1-(methylcarbamoyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is VZZZPGLPZVASTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-17-15(20)16(5-2-6-16)18-14(19)11-4-3-10-12-7-9(12)8-13(10)11/h3-4,8H,2,5-7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-(methylcarbamoyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[1-(methylcarbamoyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylcarbamoyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141293079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).