(1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene

C17H20N2O — CID 14914547

IUPAC(1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
SMILESCO/C=C1\c2[nH]c3ccccc3c2[C@@H]2C[C@H]1CCN2C
InChIInChI=1S/C17H20N2O/c1-19-8-7-11-9-15(19)16-12-5-3-4-6-14(12)18-17(16)13(11)10-20-2/h3-6,10-11,15,18H,7-9H2,1-2H3/b13-10-/t11-,15+/m1/s1
InChIKeyGQRFKUGIVODCPV-KKTVAQFNSA-N
MW268.36 g/mol
LogP3.55
Rot. Bonds1

About (1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene

(1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene (PubChem CID 14914547) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name(1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
PubChem CID14914547
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
SMILESCO/C=C1\c2[nH]c3ccccc3c2[C@@H]2C[C@H]1CCN2C
InChIInChI=1S/C17H20N2O/c1-19-8-7-11-9-15(19)16-12-5-3-4-6-14(12)18-17(16)13(11)10-20-2/h3-6,10-11,15,18H,7-9H2,1-2H3/b13-10-/t11-,15+/m1/s1
InChIKeyGQRFKUGIVODCPV-KKTVAQFNSA-N
XLogP3.55
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene?
The IUPAC name of (1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene (CID 14914547) is (1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for (1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene?
The canonical SMILES for (1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene is CO/C=C1\c2[nH]c3ccccc3c2[C@@H]2C[C@H]1CCN2C.
What is the InChIKey of (1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene?
The InChIKey is GQRFKUGIVODCPV-KKTVAQFNSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19-8-7-11-9-15(19)16-12-5-3-4-6-14(12)18-17(16)13(11)10-20-2/h3-6,10-11,15,18H,7-9H2,1-2H3/b13-10-/t11-,15+/m1/s1.
What are the key properties of (1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene?
(1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene has a molecular weight of 268.36 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11Z,12R)-11-(methoxymethylidene)-15-methyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 14914547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).