(4aZ,10aZ,12E)-1H-pyrido[3,2-c][1]benzazocin-2-one

C14H10N2O — CID 91870440

IUPAC(4aZ,10aZ,12E)-1H-pyrido[3,2-c][1]benzazocin-2-one
SMILESO=c1ccc2/c([nH]1)=C\C=c1\cccc\c1=N\C=2
InChIInChI=1S/C14H10N2O/c17-14-8-6-11-9-15-12-4-2-1-3-10(12)5-7-13(11)16-14/h1-9H,(H,16,17)/b7-5-,10-5-,11-9-,13-7+,15-9-,15-12-
InChIKeyURMVKYSRCBRORY-KCBSLMQGSA-N
MW222.25 g/mol
LogP-0.99
Rot. Bonds

About (4aZ,10aZ,12E)-1H-pyrido[3,2-c][1]benzazocin-2-one

(4aZ,10aZ,12E)-1H-pyrido[3,2-c][1]benzazocin-2-one (PubChem CID 91870440) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is (4aZ,10aZ,12E)-1H-pyrido[3,2-c][1]benzazocin-2-one.

Molecular Properties

Compound Name(4aZ,10aZ,12E)-1H-pyrido[3,2-c][1]benzazocin-2-one
PubChem CID91870440
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name(4aZ,10aZ,12E)-1H-pyrido[3,2-c][1]benzazocin-2-one
SMILESO=c1ccc2/c([nH]1)=C\C=c1\cccc\c1=N\C=2
InChIInChI=1S/C14H10N2O/c17-14-8-6-11-9-15-12-4-2-1-3-10(12)5-7-13(11)16-14/h1-9H,(H,16,17)/b7-5-,10-5-,11-9-,13-7+,15-9-,15-12-
InChIKeyURMVKYSRCBRORY-KCBSLMQGSA-N
XLogP-0.99
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aZ,10aZ,12E)-1H-pyrido[3,2-c][1]benzazocin-2-one?
The IUPAC name of (4aZ,10aZ,12E)-1H-pyrido[3,2-c][1]benzazocin-2-one (CID 91870440) is (4aZ,10aZ,12E)-1H-pyrido[3,2-c][1]benzazocin-2-one.
What is the SMILES notation for (4aZ,10aZ,12E)-1H-pyrido[3,2-c][1]benzazocin-2-one?
The canonical SMILES for (4aZ,10aZ,12E)-1H-pyrido[3,2-c][1]benzazocin-2-one is O=c1ccc2/c([nH]1)=C\C=c1\cccc\c1=N\C=2.
What is the InChIKey of (4aZ,10aZ,12E)-1H-pyrido[3,2-c][1]benzazocin-2-one?
The InChIKey is URMVKYSRCBRORY-KCBSLMQGSA-N. The full InChI is InChI=1S/C14H10N2O/c17-14-8-6-11-9-15-12-4-2-1-3-10(12)5-7-13(11)16-14/h1-9H,(H,16,17)/b7-5-,10-5-,11-9-,13-7+,15-9-,15-12-.
What are the key properties of (4aZ,10aZ,12E)-1H-pyrido[3,2-c][1]benzazocin-2-one?
(4aZ,10aZ,12E)-1H-pyrido[3,2-c][1]benzazocin-2-one has a molecular weight of 222.25 g/mol, XLogP of -0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ,10aZ,12E)-1H-pyrido[3,2-c][1]benzazocin-2-one is sourced from PubChem (CID 91870440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).