(6-tert-butyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) N-methylcarbamate

C17H21NO2 — CID 21429239

IUPAC(6-tert-butyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(C(C)(C)C)c2c1C1C=CC2C1
InChIInChI=1S/C17H21NO2/c1-17(2,3)12-7-8-13(20-16(19)18-4)15-11-6-5-10(9-11)14(12)15/h5-8,10-11H,9H2,1-4H3,(H,18,19)
InChIKeyNXCJTQLBWXFJBU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.84
Rot. Bonds1

About (6-tert-butyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) N-methylcarbamate

(6-tert-butyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) N-methylcarbamate (PubChem CID 21429239) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (6-tert-butyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) N-methylcarbamate.

Molecular Properties

Compound Name(6-tert-butyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) N-methylcarbamate
PubChem CID21429239
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(6-tert-butyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(C(C)(C)C)c2c1C1C=CC2C1
InChIInChI=1S/C17H21NO2/c1-17(2,3)12-7-8-13(20-16(19)18-4)15-11-6-5-10(9-11)14(12)15/h5-8,10-11H,9H2,1-4H3,(H,18,19)
InChIKeyNXCJTQLBWXFJBU-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
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 (6-tert-butyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) N-methylcarbamate?
The IUPAC name of (6-tert-butyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) N-methylcarbamate (CID 21429239) is (6-tert-butyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) N-methylcarbamate.
What is the SMILES notation for (6-tert-butyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) N-methylcarbamate?
The canonical SMILES for (6-tert-butyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) N-methylcarbamate is CNC(=O)Oc1ccc(C(C)(C)C)c2c1C1C=CC2C1.
What is the InChIKey of (6-tert-butyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) N-methylcarbamate?
The InChIKey is NXCJTQLBWXFJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(2,3)12-7-8-13(20-16(19)18-4)15-11-6-5-10(9-11)14(12)15/h5-8,10-11H,9H2,1-4H3,(H,18,19).
What are the key properties of (6-tert-butyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) N-methylcarbamate?
(6-tert-butyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) N-methylcarbamate has a molecular weight of 271.36 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) N-methylcarbamate is sourced from PubChem (CID 21429239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).