(5R)-4-azatetracyclo[10.2.2.01,5.06,11]hexadeca-6,8,10,13,15-pentaen-3-one

C15H13NO — CID 94034838

IUPAC(5R)-4-azatetracyclo[10.2.2.01,5.06,11]hexadeca-6,8,10,13,15-pentaen-3-one
SMILESO=C1CC23C=CC(C=C2)c2ccccc2[C@@H]3N1
InChIInChI=1S/C15H13NO/c17-13-9-15-7-5-10(6-8-15)11-3-1-2-4-12(11)14(15)16-13/h1-8,10,14H,9H2,(H,16,17)/t10?,14-,15?/m0/s1
InChIKeyDQMPAYYFPBIXKO-CUMGRINNSA-N
MW223.28 g/mol
LogP2.46
Rot. Bonds

About (5R)-4-azatetracyclo[10.2.2.01,5.06,11]hexadeca-6,8,10,13,15-pentaen-3-one

(5R)-4-azatetracyclo[10.2.2.01,5.06,11]hexadeca-6,8,10,13,15-pentaen-3-one (PubChem CID 94034838) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is (5R)-4-azatetracyclo[10.2.2.01,5.06,11]hexadeca-6,8,10,13,15-pentaen-3-one.

Molecular Properties

Compound Name(5R)-4-azatetracyclo[10.2.2.01,5.06,11]hexadeca-6,8,10,13,15-pentaen-3-one
PubChem CID94034838
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name(5R)-4-azatetracyclo[10.2.2.01,5.06,11]hexadeca-6,8,10,13,15-pentaen-3-one
SMILESO=C1CC23C=CC(C=C2)c2ccccc2[C@@H]3N1
InChIInChI=1S/C15H13NO/c17-13-9-15-7-5-10(6-8-15)11-3-1-2-4-12(11)14(15)16-13/h1-8,10,14H,9H2,(H,16,17)/t10?,14-,15?/m0/s1
InChIKeyDQMPAYYFPBIXKO-CUMGRINNSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5R)-4-azatetracyclo[10.2.2.01,5.06,11]hexadeca-6,8,10,13,15-pentaen-3-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-azatetracyclo[10.2.2.01,5.06,11]hexadeca-6,8,10,13,15-pentaen-3-one?
The IUPAC name of (5R)-4-azatetracyclo[10.2.2.01,5.06,11]hexadeca-6,8,10,13,15-pentaen-3-one (CID 94034838) is (5R)-4-azatetracyclo[10.2.2.01,5.06,11]hexadeca-6,8,10,13,15-pentaen-3-one.
What is the SMILES notation for (5R)-4-azatetracyclo[10.2.2.01,5.06,11]hexadeca-6,8,10,13,15-pentaen-3-one?
The canonical SMILES for (5R)-4-azatetracyclo[10.2.2.01,5.06,11]hexadeca-6,8,10,13,15-pentaen-3-one is O=C1CC23C=CC(C=C2)c2ccccc2[C@@H]3N1.
What is the InChIKey of (5R)-4-azatetracyclo[10.2.2.01,5.06,11]hexadeca-6,8,10,13,15-pentaen-3-one?
The InChIKey is DQMPAYYFPBIXKO-CUMGRINNSA-N. The full InChI is InChI=1S/C15H13NO/c17-13-9-15-7-5-10(6-8-15)11-3-1-2-4-12(11)14(15)16-13/h1-8,10,14H,9H2,(H,16,17)/t10?,14-,15?/m0/s1.
What are the key properties of (5R)-4-azatetracyclo[10.2.2.01,5.06,11]hexadeca-6,8,10,13,15-pentaen-3-one?
(5R)-4-azatetracyclo[10.2.2.01,5.06,11]hexadeca-6,8,10,13,15-pentaen-3-one has a molecular weight of 223.28 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-azatetracyclo[10.2.2.01,5.06,11]hexadeca-6,8,10,13,15-pentaen-3-one is sourced from PubChem (CID 94034838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).