(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-4-carboxamide

C12H15N3O2 — CID 153497003

IUPAC(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-4-carboxamide
SMILESNC(=O)c1cc2n(c(=O)c1)CC1CNC[C@@H]2C1
InChIInChI=1S/C12H15N3O2/c13-12(17)8-2-10-9-1-7(4-14-5-9)6-15(10)11(16)3-8/h2-3,7,9,14H,1,4-6H2,(H2,13,17)/t7?,9-/m0/s1
InChIKeyDYUZUWODHHENIO-NETXQHHPSA-N
MW233.27 g/mol
LogP-0.35
Rot. Bonds1

About (1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-4-carboxamide

(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-4-carboxamide (PubChem CID 153497003) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-4-carboxamide.

Molecular Properties

Compound Name(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-4-carboxamide
PubChem CID153497003
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-4-carboxamide
SMILESNC(=O)c1cc2n(c(=O)c1)CC1CNC[C@@H]2C1
InChIInChI=1S/C12H15N3O2/c13-12(17)8-2-10-9-1-7(4-14-5-9)6-15(10)11(16)3-8/h2-3,7,9,14H,1,4-6H2,(H2,13,17)/t7?,9-/m0/s1
InChIKeyDYUZUWODHHENIO-NETXQHHPSA-N
XLogP-0.35
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-4-carboxamide?
The IUPAC name of (1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-4-carboxamide (CID 153497003) is (1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-4-carboxamide.
What is the SMILES notation for (1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-4-carboxamide?
The canonical SMILES for (1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-4-carboxamide is NC(=O)c1cc2n(c(=O)c1)CC1CNC[C@@H]2C1.
What is the InChIKey of (1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-4-carboxamide?
The InChIKey is DYUZUWODHHENIO-NETXQHHPSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-12(17)8-2-10-9-1-7(4-14-5-9)6-15(10)11(16)3-8/h2-3,7,9,14H,1,4-6H2,(H2,13,17)/t7?,9-/m0/s1.
What are the key properties of (1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-4-carboxamide?
(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-4-carboxamide has a molecular weight of 233.27 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-4-carboxamide is sourced from PubChem (CID 153497003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).