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

C15H14N2O2 — CID 141292846

IUPACN-(1-carbamoylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESNC(=O)C1(NC(=O)C2=C3C=C4CC4=C3C=C2)CCC1
InChIInChI=1S/C15H14N2O2/c16-14(19)15(4-1-5-15)17-13(18)10-3-2-9-11-6-8(11)7-12(9)10/h2-3,7H,1,4-6H2,(H2,16,19)(H,17,18)
InChIKeyNJUNHNJFEJDLEI-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.02
Rot. Bonds3

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

N-(1-carbamoylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141292846) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(1-carbamoylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141292846
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-(1-carbamoylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESNC(=O)C1(NC(=O)C2=C3C=C4CC4=C3C=C2)CCC1
InChIInChI=1S/C15H14N2O2/c16-14(19)15(4-1-5-15)17-13(18)10-3-2-9-11-6-8(11)7-12(9)10/h2-3,7H,1,4-6H2,(H2,16,19)(H,17,18)
InChIKeyNJUNHNJFEJDLEI-UHFFFAOYSA-N
XLogP1.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-(1-carbamoylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141292846) is N-(1-carbamoylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-(1-carbamoylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-(1-carbamoylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is NC(=O)C1(NC(=O)C2=C3C=C4CC4=C3C=C2)CCC1.
What is the InChIKey of N-(1-carbamoylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is NJUNHNJFEJDLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-14(19)15(4-1-5-15)17-13(18)10-3-2-9-11-6-8(11)7-12(9)10/h2-3,7H,1,4-6H2,(H2,16,19)(H,17,18).
What are the key properties of N-(1-carbamoylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-(1-carbamoylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141292846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).