N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)cyclopropanecarboxamide

C15H16N2O2 — CID 7384421

IUPACN-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)cyclopropanecarboxamide
SMILESO=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)C1CC1
InChIInChI=1S/C15H16N2O2/c18-13-8-11-7-12(16-15(19)9-3-4-9)6-10-2-1-5-17(13)14(10)11/h6-7,9H,1-5,8H2,(H,16,19)
InChIKeyYHMPRDUZMFQBQM-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.87
Rot. Bonds2

About N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)cyclopropanecarboxamide

N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)cyclopropanecarboxamide (PubChem CID 7384421) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)cyclopropanecarboxamide
PubChem CID7384421
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC NameN-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)cyclopropanecarboxamide
SMILESO=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)C1CC1
InChIInChI=1S/C15H16N2O2/c18-13-8-11-7-12(16-15(19)9-3-4-9)6-10-2-1-5-17(13)14(10)11/h6-7,9H,1-5,8H2,(H,16,19)
InChIKeyYHMPRDUZMFQBQM-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)cyclopropanecarboxamide?
The IUPAC name of N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)cyclopropanecarboxamide (CID 7384421) is N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)cyclopropanecarboxamide is O=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)C1CC1.
What is the InChIKey of N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)cyclopropanecarboxamide?
The InChIKey is YHMPRDUZMFQBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-13-8-11-7-12(16-15(19)9-3-4-9)6-10-2-1-5-17(13)14(10)11/h6-7,9H,1-5,8H2,(H,16,19).
What are the key properties of N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)cyclopropanecarboxamide?
N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)cyclopropanecarboxamide has a molecular weight of 256.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)cyclopropanecarboxamide is sourced from PubChem (CID 7384421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).