(2R,7R)-6-ethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene

C15H18N2O — CID 14254830

IUPAC(2R,7R)-6-ethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
SMILESCCN1CCO[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C15H18N2O/c1-2-17-6-7-18-15-11-4-3-5-12-14(11)10(9-16-12)8-13(15)17/h3-5,9,13,15-16H,2,6-8H2,1H3/t13-,15-/m1/s1
InChIKeyILMWHLYQRWFIJV-UKRRQHHQSA-N
MW242.32 g/mol
LogP2.49
Rot. Bonds1

About (2R,7R)-6-ethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene

(2R,7R)-6-ethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene (PubChem CID 14254830) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (2R,7R)-6-ethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene.

Molecular Properties

Compound Name(2R,7R)-6-ethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
PubChem CID14254830
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(2R,7R)-6-ethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
SMILESCCN1CCO[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C15H18N2O/c1-2-17-6-7-18-15-11-4-3-5-12-14(11)10(9-16-12)8-13(15)17/h3-5,9,13,15-16H,2,6-8H2,1H3/t13-,15-/m1/s1
InChIKeyILMWHLYQRWFIJV-UKRRQHHQSA-N
XLogP2.49
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,7R)-6-ethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
The IUPAC name of (2R,7R)-6-ethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene (CID 14254830) is (2R,7R)-6-ethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene.
What is the SMILES notation for (2R,7R)-6-ethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
The canonical SMILES for (2R,7R)-6-ethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene is CCN1CCO[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (2R,7R)-6-ethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
The InChIKey is ILMWHLYQRWFIJV-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-17-6-7-18-15-11-4-3-5-12-14(11)10(9-16-12)8-13(15)17/h3-5,9,13,15-16H,2,6-8H2,1H3/t13-,15-/m1/s1.
What are the key properties of (2R,7R)-6-ethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
(2R,7R)-6-ethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene has a molecular weight of 242.32 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7R)-6-ethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene is sourced from PubChem (CID 14254830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).