N-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C14H14N2O — CID 141405546

IUPACN-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC1(NC(=O)c2ccc3c4[nH]c-4cc2-3)CCC1
InChIInChI=1S/C14H14N2O/c1-14(5-2-6-14)16-13(17)9-4-3-8-10(9)7-11-12(8)15-11/h3-4,7,15H,2,5-6H2,1H3,(H,16,17)
InChIKeyVXBUNNIXMFANNK-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.77
Rot. Bonds2

About N-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141405546) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141405546
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC1(NC(=O)c2ccc3c4[nH]c-4cc2-3)CCC1
InChIInChI=1S/C14H14N2O/c1-14(5-2-6-14)16-13(17)9-4-3-8-10(9)7-11-12(8)15-11/h3-4,7,15H,2,5-6H2,1H3,(H,16,17)
InChIKeyVXBUNNIXMFANNK-UHFFFAOYSA-N
XLogP2.77
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141405546) is N-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CC1(NC(=O)c2ccc3c4[nH]c-4cc2-3)CCC1.
What is the InChIKey of N-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is VXBUNNIXMFANNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-14(5-2-6-14)16-13(17)9-4-3-8-10(9)7-11-12(8)15-11/h3-4,7,15H,2,5-6H2,1H3,(H,16,17).
What are the key properties of N-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141405546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).