10-azatetracyclo[6.3.0.02,4.05,7]undeca-1,4,7-trien-9-one

C10H7NO — CID 142758016

IUPAC10-azatetracyclo[6.3.0.02,4.05,7]undeca-1,4,7-trien-9-one
SMILESO=C1NCc2c3c(c4c(c21)C4)C3
InChIInChI=1S/C10H7NO/c12-10-9-7-2-5(7)4-1-6(4)8(9)3-11-10/h1-3H2,(H,11,12)
InChIKeyWSQKIHKBLDLRKK-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.74
Rot. Bonds

About 10-azatetracyclo[6.3.0.02,4.05,7]undeca-1,4,7-trien-9-one

10-azatetracyclo[6.3.0.02,4.05,7]undeca-1,4,7-trien-9-one (PubChem CID 142758016) has the molecular formula C10H7NO and a molecular weight of 157.17 g/mol. Its IUPAC name is 10-azatetracyclo[6.3.0.02,4.05,7]undeca-1,4,7-trien-9-one.

Molecular Properties

Compound Name10-azatetracyclo[6.3.0.02,4.05,7]undeca-1,4,7-trien-9-one
PubChem CID142758016
Molecular FormulaC10H7NO
Molecular Weight157.17 g/mol
Exact Mass157.05
IUPAC Name10-azatetracyclo[6.3.0.02,4.05,7]undeca-1,4,7-trien-9-one
SMILESO=C1NCc2c3c(c4c(c21)C4)C3
InChIInChI=1S/C10H7NO/c12-10-9-7-2-5(7)4-1-6(4)8(9)3-11-10/h1-3H2,(H,11,12)
InChIKeyWSQKIHKBLDLRKK-UHFFFAOYSA-N
XLogP0.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-azatetracyclo[6.3.0.02,4.05,7]undeca-1,4,7-trien-9-one?
The IUPAC name of 10-azatetracyclo[6.3.0.02,4.05,7]undeca-1,4,7-trien-9-one (CID 142758016) is 10-azatetracyclo[6.3.0.02,4.05,7]undeca-1,4,7-trien-9-one.
What is the SMILES notation for 10-azatetracyclo[6.3.0.02,4.05,7]undeca-1,4,7-trien-9-one?
The canonical SMILES for 10-azatetracyclo[6.3.0.02,4.05,7]undeca-1,4,7-trien-9-one is O=C1NCc2c3c(c4c(c21)C4)C3.
What is the InChIKey of 10-azatetracyclo[6.3.0.02,4.05,7]undeca-1,4,7-trien-9-one?
The InChIKey is WSQKIHKBLDLRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO/c12-10-9-7-2-5(7)4-1-6(4)8(9)3-11-10/h1-3H2,(H,11,12).
What are the key properties of 10-azatetracyclo[6.3.0.02,4.05,7]undeca-1,4,7-trien-9-one?
10-azatetracyclo[6.3.0.02,4.05,7]undeca-1,4,7-trien-9-one has a molecular weight of 157.17 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azatetracyclo[6.3.0.02,4.05,7]undeca-1,4,7-trien-9-one is sourced from PubChem (CID 142758016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).