N-cyclobutyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C14H13NO — CID 141292963

IUPACN-cyclobutyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC1CCC1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H13NO/c16-14(15-9-2-1-3-9)11-5-4-10-12-6-8(12)7-13(10)11/h4-5,7,9H,1-3,6H2,(H,15,16)
InChIKeyYCQMLTNBVKAOFY-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.16
Rot. Bonds2

About N-cyclobutyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-cyclobutyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141292963) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is N-cyclobutyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-cyclobutyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141292963
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC NameN-cyclobutyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC1CCC1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H13NO/c16-14(15-9-2-1-3-9)11-5-4-10-12-6-8(12)7-13(10)11/h4-5,7,9H,1-3,6H2,(H,15,16)
InChIKeyYCQMLTNBVKAOFY-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-cyclobutyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141292963) is N-cyclobutyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-cyclobutyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-cyclobutyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is O=C(NC1CCC1)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-cyclobutyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is YCQMLTNBVKAOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c16-14(15-9-2-1-3-9)11-5-4-10-12-6-8(12)7-13(10)11/h4-5,7,9H,1-3,6H2,(H,15,16).
What are the key properties of N-cyclobutyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-cyclobutyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141292963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).