(1R,13E)-1-amino-13-ethylidene-11-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-5-ol

C16H19NO — CID 73351439

IUPAC(1R,13E)-1-amino-13-ethylidene-11-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-5-ol
SMILESC/C=C1\C2C=C(C)C[C@]1(N)c1ccc(O)cc1C2
InChIInChI=1S/C16H19NO/c1-3-14-11-6-10(2)9-16(14,17)15-5-4-13(18)8-12(15)7-11/h3-6,8,11,18H,7,9,17H2,1-2H3/b14-3+/t11?,16-/m1/s1
InChIKeyXRMHFNQZCJKNPO-VKSOVZOBSA-N
MW241.33 g/mol
LogP3.01
Rot. Bonds

About (1R,13E)-1-amino-13-ethylidene-11-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-5-ol

(1R,13E)-1-amino-13-ethylidene-11-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-5-ol (PubChem CID 73351439) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1R,13E)-1-amino-13-ethylidene-11-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-5-ol.

Molecular Properties

Compound Name(1R,13E)-1-amino-13-ethylidene-11-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-5-ol
PubChem CID73351439
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1R,13E)-1-amino-13-ethylidene-11-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-5-ol
SMILESC/C=C1\C2C=C(C)C[C@]1(N)c1ccc(O)cc1C2
InChIInChI=1S/C16H19NO/c1-3-14-11-6-10(2)9-16(14,17)15-5-4-13(18)8-12(15)7-11/h3-6,8,11,18H,7,9,17H2,1-2H3/b14-3+/t11?,16-/m1/s1
InChIKeyXRMHFNQZCJKNPO-VKSOVZOBSA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,13E)-1-amino-13-ethylidene-11-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-5-ol?
The IUPAC name of (1R,13E)-1-amino-13-ethylidene-11-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-5-ol (CID 73351439) is (1R,13E)-1-amino-13-ethylidene-11-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-5-ol.
What is the SMILES notation for (1R,13E)-1-amino-13-ethylidene-11-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-5-ol?
The canonical SMILES for (1R,13E)-1-amino-13-ethylidene-11-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-5-ol is C/C=C1\C2C=C(C)C[C@]1(N)c1ccc(O)cc1C2.
What is the InChIKey of (1R,13E)-1-amino-13-ethylidene-11-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-5-ol?
The InChIKey is XRMHFNQZCJKNPO-VKSOVZOBSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-14-11-6-10(2)9-16(14,17)15-5-4-13(18)8-12(15)7-11/h3-6,8,11,18H,7,9,17H2,1-2H3/b14-3+/t11?,16-/m1/s1.
What are the key properties of (1R,13E)-1-amino-13-ethylidene-11-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-5-ol?
(1R,13E)-1-amino-13-ethylidene-11-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-5-ol has a molecular weight of 241.33 g/mol, XLogP of 3.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,13E)-1-amino-13-ethylidene-11-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-5-ol is sourced from PubChem (CID 73351439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).