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

C15H15NO — CID 141292831

IUPACN-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC1(NC(=O)C2=C3C=C4CC4=C3C=C2)CCC1
InChIInChI=1S/C15H15NO/c1-15(5-2-6-15)16-14(17)11-4-3-10-12-7-9(12)8-13(10)11/h3-4,8H,2,5-7H2,1H3,(H,16,17)
InChIKeyWZEPNSBQOZBFNT-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.55
Rot. Bonds2

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

N-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141292831) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141292831
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC NameN-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC1(NC(=O)C2=C3C=C4CC4=C3C=C2)CCC1
InChIInChI=1S/C15H15NO/c1-15(5-2-6-15)16-14(17)11-4-3-10-12-7-9(12)8-13(10)11/h3-4,8H,2,5-7H2,1H3,(H,16,17)
InChIKeyWZEPNSBQOZBFNT-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292845
N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide
CID 141293031
N-[1-(trifluoromethyl)cyclobutyl]pentalene-1-carboxamide
CID 141293234
N-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 158195101
N-(1-carbamoylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292846
N-cyclobutyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292963
N-(2-cyanopropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293111
N-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293152
N-(1-methylcyclobutyl)pentalene-1-carboxamide
CID 141293193
N-(2-methylbut-3-yn-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293206
N-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141405546
N-(1-methylcyclopropyl)pentalene-1-carboxamide
CID 160314979

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141292831) is N-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CC1(NC(=O)C2=C3C=C4CC4=C3C=C2)CCC1.
What is the InChIKey of N-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is WZEPNSBQOZBFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-15(5-2-6-15)16-14(17)11-4-3-10-12-7-9(12)8-13(10)11/h3-4,8H,2,5-7H2,1H3,(H,16,17).
What are the key properties of N-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141292831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).